SCHEMBL31070511

SCHEMBL31070511

c1ccc2c(-c3ccc4c(c3)CNC4)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.53
TDO2 P48775 14/20 0.52
IMPDH2 P12268 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ASH1L Q9NR48 1/20 0.48
ALOX5 P09917 1/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL25401778 0.88 CD274 (0.52) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL17096911 0.81 TDO2 (0.56) TDO2
SCHEMBL28377762 0.77 NR4A2 (0.81) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL28416622 0.75 NR4A2 (0.78) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL28129193 0.74 HSD17B10 (0.51) NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL20837488 0.74 IMPDH2 (0.51) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL29713619 0.73 TDO2 (0.70) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL18843523 0.72 NR4A2 (0.57) NR4A2TDO2IMPDH2MAPK1HSD17B10
SCHEMBL17114123 0.72 TDO2 (0.49) NR4A2TDO2IMPDH2MAPK1HSD17B10
3-Phenylindole SCHEMBL84056 0.72 IMPDH2 (0.71) NR4A2TDO2IMPDH2MAPK1HSD17B10

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
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed