SCHEMBL7805852

SCHEMBL7805852

Cc1cccc2c1C(=O)c1sc(-c3ccco3)nc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.41
ADORA1 P30542 5/20 0.41
IDO1 P14902 6/20 0.41
TDO2 P48775 4/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP8 P40818 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7815082 0.95 ADORA2A (0.41) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7805503 0.86 MAOA (0.44) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7805489 0.85 IDO1 (0.41) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7813039 0.85 ALDH1A1 (0.43) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7816639 0.83 IDO1 (0.57) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7813200 0.81 MAOA (0.44) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7811756 0.81 IDO1 (0.41) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7815043 0.80 ALDH1A1 (0.43) ADORA2AADORA1IDO1TDO2ALDH1A1
SCHEMBL7815486 0.80 IDO1 (0.57) IDO1TDO2ALDH1A1MAPTUSP8
SCHEMBL7805732 0.78 IDO1 (0.43) ADORA2AADORA1IDO1TDO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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