SCHEMBL4194030

SCHEMBL4194030

COC(=O)c1oc2ccccc2c1NC(=O)CCSc1ccc(Br)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.54
ESR1 P03372 1/20 0.52
KDM4E B2RXH2 2/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4196907 0.90 ALDH1A1 (0.57) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL13890885 0.90 LMNA (0.55) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4190437 0.81 LMNA (0.61) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4346565 0.78 ALDH1A1 (0.67) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4176815 0.78 HPGD (0.51) LMNAALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL4187652 0.77 ALDH1A1 (0.49) LMNAALDH1A1KDM4ETSHRMEN1
SCHEMBL4734529 0.77 KDM4E (0.64) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4187378 0.76 KDM4E (0.51) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL4189591 0.76 MEN1 (0.43) LMNAMEN1KMT2A
SCHEMBL4185865 0.75 KMT2A (0.48) LMNAALDH1A1KDM4EMEN1KMT2A

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