SCHEMBL7958280

SCHEMBL7958280

O=C1c2ccccc2C(=O)c2sc(-c3ccc[nH]3)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.57
TDO2 P48775 5/20 0.57
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
AHR P35869 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
USP8 P40818 3/20 0.33
USP7 Q93009 2/20 0.33
USP47 Q96K76 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
CTSL P07711 1/20 0.33
PTPRC P08575 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL7808047 0.76 IDO1 (0.79) IDO1TDO2ALDH1A1POLB
SCHEMBL7805902 0.75 IDO1 (0.63) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL8960660 0.74 CYP1A2 (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7816954 0.73 IDO1 (1.00) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7816362 0.73 IDO1 (0.55) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7811800 0.72 IDO1 (0.62) IDO1TDO2ALDH1A1RXFP1NPC1
SCHEMBL7805767 0.72 IDO1 (0.71) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7974992 0.72 IDO1 (1.00) IDO1TDO2ALDH1A1NPC1MAPT
SCHEMBL7815259 0.71 IDO1 (0.63) IDO1TDO2ALDH1A1RAB9APTPRC
SCHEMBL7816639 0.71 IDO1 (0.57) IDO1TDO2ALDH1A1POLBMAPT

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 1 patent. 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 disclosed