SCHEMBL22760232

SCHEMBL22760232

CCOC(=O)c1c(N2CCCCC2)c2c(Cl)c(F)ccc2n1-c1cccc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
MAPT P10636 7/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 4/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY12 Q9H244 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
SCHEMBL22760215 0.93 HPGD (0.51) HPGDMAPTALDH1A1MAPK1TP53
SCHEMBL22760192 0.91 ALDH1A1 (0.41) HPGDMAPTALDH1A1MAPK1ALOX15
SCHEMBL22760342 0.91 HPGD (0.45) HPGDMAPTALDH1A1MAPK1ALOX15
SCHEMBL22747825 0.91 HPGD (0.45) HPGDMAPTALDH1A1MAPK1TP53
SCHEMBL22760115 0.89 MAPT (0.46) HPGDMAPTALDH1A1MAPK1TP53
SCHEMBL22760126 0.88 EDNRA (0.41) HPGDMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL22760214 0.84 MAPT (0.42) HPGDMAPTALDH1A1MAPK1ALOX15
SCHEMBL22760185 0.84 HPGD (0.43) HPGDMAPTALDH1A1MAPK1ALOX15
SCHEMBL22748239 0.84 HSD17B10 (0.41) HPGDALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL22747885 0.83 HPGD (0.45) HPGDMAPTALDH1A1MAPK1KDM4E

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed