SCHEMBL7816639

SCHEMBL7816639

O=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.57
TDO2 P48775 5/20 0.57
ADORA2A P29274 4/20 0.48
ADORA1 P30542 4/20 0.48
MAOB P27338 1/20 0.47
ADORA3 P0DMS8 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 3/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 3/20 0.41
BLM P54132 3/20 0.41
CASP7 P55210 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL7814682 0.86 IDO1 (0.43) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7813017 0.86 IDO1 (0.43) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7815507 0.86 PTGDR2 (0.46) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7815676 0.86 PTGDR2 (0.46) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7813184 0.86 IDO1 (0.43) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7805732 0.86 IDO1 (0.43) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7813200 0.84 MAOA (0.44) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7805503 0.84 MAOA (0.44) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7811756 0.83 IDO1 (0.41) IDO1TDO2ADORA2AADORA1MAOB
SCHEMBL7815082 0.83 ADORA2A (0.41) IDO1TDO2ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US claimed
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US disclosed