SCHEMBL7108173

SCHEMBL7108173

Cc1ccc2c(c1)c(O)c(C)n2CCC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MYLK Q15746 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GAA P10253 1/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17484539 0.84 RAB9A (0.55) RAB9AKDM4EHSD17B10POLBL3MBTL1
SCHEMBL11875980 0.78 KDM4E (0.61) RAB9AKDM4EHSD17B10POLBMYLK
SCHEMBL17482004 0.77 RAB9A (0.70) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL6823481 0.72 KMT2A (0.63) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL11280174 0.71 PTGDR2 (0.53) RAB9AKDM4EHSD17B10KMT2AMEN1
SCHEMBL3317829 0.70 HTR6 (0.69)
SCHEMBL21431750 0.69 KDM4E (1.00) RAB9AKDM4EHSD17B10POLBMYLK
SCHEMBL10127828 0.68 HTR6 (0.60)
SCHEMBL12868533 0.68 HRH1 (0.43) RAB9AKDM4EHSD17B10KMT2AMEN1
SCHEMBL18257916 0.68 CTNNB1 (0.71) RAB9AKDM4EHSD17B10MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288710-A1 Thermally developable infrared sensitive imaging materials containing heat-bleachable antihalation composition EASTMAN KODAK COMPANY (US) 2003-03-05 EP disclosed
US-6514677-B1 Thermally developable infrared sensitive imaging materials containing heat-bleachable antihalation composition EASTMAN KODAK COMPANY 2003-02-04 US disclosed
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed