SCHEMBL4334060

SCHEMBL4334060

C=CC(=O)Nc1c(C(=O)OC)oc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
ALDH1A1 P00352 6/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 8/20 0.56
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 5/20 0.50
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL15714287 0.83 TSHR (0.68) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL16902654 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL16905806 0.80 KDM4E (0.65) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL2392417 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL15714138 0.80 TSHR (0.73) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL17179775 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL4346565 0.78 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL17179761 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL15714263 0.75 KDM4E (0.58) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL4338164 0.74 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAKDM4ENPSR1

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-2009048274-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES SUBSTITUTED WITH AMIDE, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-16 WO disclosed