SCHEMBL4338164

SCHEMBL4338164

COC(=O)c1oc2ccccc2c1NC(=O)C(Br)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 6/20 0.51
TSHR P16473 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL4187378 0.80 KDM4E (0.51) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL15714287 0.79 TSHR (0.68) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL15714138 0.78 TSHR (0.73) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL16902654 0.78 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL4346565 0.77 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL16905806 0.76 KDM4E (0.65) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL2392417 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL4334060 0.74 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL17179761 0.74 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR
SCHEMBL4190437 0.73 LMNA (0.61) SMN1; SMN2ALDH1A1LMNAKDM4ETSHR

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