SCHEMBL4185865

SCHEMBL4185865

COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL4180223 0.88 ALDH1A1 (0.44) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL4196907 0.84 ALDH1A1 (0.57) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL4346053 0.81 NPSR1 (0.55) KDM4ELMNAALDH1A1NPSR1
SCHEMBL4484979 0.80 LMNA (0.45) KDM4ELMNAALDH1A1NPSR1
SCHEMBL4178799 0.80 NPSR1 (0.47) KMT2AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4189591 0.76 MEN1 (0.43) KMT2AMEN1LMNAL3MBTL1
SCHEMBL4194030 0.75 LMNA (0.55) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL4190437 0.74 LMNA (0.61) KMT2AKDM4EMEN1LMNAALDH1A1
SCHEMBL4566093 0.73 NPC1 (0.49) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL4732905 0.72 L3MBTL1 (0.81) KMT2AKDM4EMEN1LMNAALDH1A1

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