SCHEMBL7038650

SCHEMBL7038650

N#Cc1ccc2c(c1)N=CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
PNMT P11086 6/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
KDM1A O60341 2/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11017385 0.85 TRPA1 (0.44) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL30159901 0.73 PNMT (0.49) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL6784525 0.72 CASP3 (0.37) TRPA1NOS3NOS1NOS2CYP11B1
SCHEMBL28039609 0.70 PNMT (0.42) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL11909926 0.69 PNMT (0.41) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL5800514 0.69 TRPA1 (0.35) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL27711972 0.69 IMPDH2 (0.36) TRPA1PNMTDRD2DRD3IMPDH2
SCHEMBL27884864 0.69 TRPA1 (0.35) TRPA1PNMTDRD2DRD3IMPDH2
SCHEMBL21391039 0.67 TRPA1 (0.39) TRPA1PNMTDRD2DRD3KDM1A
SCHEMBL1786744 0.67 PNMT (0.50) TRPA1PNMTDRD2DRD3KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291714-A1 An aqueous thermally bleachable composition useful in a photothermographic element EASTMAN KODAK COMPANY (US) 2003-03-12 EP disclosed
EP-1288709-A1 A thermally bleachable dye for a color photothermographic element EASTMAN KODAK COMPANY (US) 2003-03-05 EP disclosed
US-6492076-B1 UNDERGOES CHANGE IN ELECTROMAGNETIC ABSORPTION WHEN HEATED; ANTIHALATION OR FILTER LAYERS CONTAINING ZWITTERIONIC 1-AMINOPYRIDINIUM DYE EASTMAN KODAK COMPANY 2002-12-10 US disclosed
US-6451516-B1 AMINOPYRIDINIUM DYE WITH METHIN LINKAGE TERMINATED BY A HETEROCVYCLIC NUCLEUS AS FOUND IN CYANINE DYES EASTMAN KODAK COMPANY 2002-09-17 US disclosed
US-RE30267-E SEMIPERMEABLE MEMBRANE, THIN FILM EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed
US-4111699-A O-NITRO-O-AZAARYLIDENE PHOTOBLEACHABLE DYES AND PHOTOGRAPHIC ELEMENTS UTILIZING THEM EASTMAN KODAK COMPANY (US) 1978-09-05 US disclosed
US-4110116-A Fogged direct positive silver halide emulsion containing a cyanine dye having at least one benzoxazole or benzothiazole nucleus substituted with halogen atoms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-08-29 US disclosed
US-4095981-A Photographic material containing an energy-sensitive organic o-nitroarylidene dye and physical development process of forming an image with said material EASTMAN KODAK COMPANY (US) 1978-06-20 US disclosed
US-4081279-A Photothermographic materials containing radiation sensitive quinone compounds and nitrobenzylidene dyes EASTMAN KODAK COMPANY (US) 1978-03-28 US disclosed
US-4075017-A Photothermographic material containing a combination of energy-sensitive organic dyes and process of forming a positive or negative image with the material EASTMAN KODAK COMPANY (US) 1978-02-21 US disclosed
US-4066403-A DECOMPOSITION, PERMEABLE BARRIERS EASTMAN KODAK COMPANY (US) 1978-01-03 US disclosed
US-4035190-A 2-ISOXAZOLIN-3-HETEROCYCLIC-SUBSTITUTED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-07-12 US disclosed
US-4028113-A Photographic supports and elements utilizing photobleachable O-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1977-06-07 US disclosed
US-4025347-A Fogged direct-positive silver halide emulsion containing a cyanine dye having an indole or indolenine nucleus substituted with a benzoyl or a phenylsulfonyl group MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-05-24 US disclosed
US-3994733-A CYANINE DYES, A BENZOTHIAZOLE, OR BENZOTHIAZOLONE, OR NAPHTHOTHIAZOLE, OR NAPHTHOTHIAZOLONE, OR A QUINOLONE FUJI PHOTO FILM CO., LTD. (JA) 1976-11-30 US disclosed
US-3988156-A Photographic supports and elements utilizing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 US disclosed
US-3988154-A Photographic supports and elements utilizing photobleachable omicron-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 US disclosed
US-3984248-A Photographic polymeric film supports containing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-05 US disclosed