SCHEMBL4187378

SCHEMBL4187378

COC(=O)c1oc2ccccc2c1NC(=O)C(Sc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4326021 0.90 ALDH1A1 (0.47) KDM4EALDH1A1MEN1HPGDTSHR
SCHEMBL4347955 0.82 TEAD1 (0.41) ALDH1A1MEN1HPGDTSHRKMT2A
SCHEMBL4338164 0.80 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4734032 0.78 MAPT (0.47) SMN1; SMN2ALDH1A1MEN1HPGDTSHR
SCHEMBL4196907 0.78 ALDH1A1 (0.57) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4187568 0.78 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4736772 0.76 MAPT (0.47) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4176804 0.76 TSHR (0.39) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL4194030 0.76 LMNA (0.55) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4749651 0.72 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1MEN1HPGD

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 2 patents. 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 claimed
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