SCHEMBL9740885

SCHEMBL9740885

Cc1cc2c(cc1C)NC(=O)CC=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.33
EPHX2 P34913 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GRIA1 P42261 2/20 0.31
CACNG8 Q8WXS5 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
MMP12 P39900 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9740835 0.77 TSHR (0.40) MAPK1ALDH1A1TP53KMT2AMEN1
SCHEMBL9739275 0.69
SCHEMBL1247901 0.69 MAPT (0.52) HSD17B10ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL29591948 0.69 MAPT (0.52) HSD17B10ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL20050453 0.68 GSK3B (0.41) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL22400697 0.67 PKM (0.34) ALDH1A1MAPTGAA
SCHEMBL3195465 0.65 NPC1 (0.30) MAPTRAB9A
SCHEMBL17348364 0.64 CYP11B1 (0.42) HPGDMAPK1HSD17B10POLBALDH1A1
SCHEMBL1436084 0.64 GRIA1 (0.53) HPGDMAPK1HSD17B10POLBEPHX2
SCHEMBL1305583 0.64

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed