SCHEMBL4484979

SCHEMBL4484979

COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CCBr

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4346053 0.86 NPSR1 (0.55) LMNAALDH1A1NPSR1KDM4EMAPK1
SCHEMBL4185865 0.80 KMT2A (0.48) LMNAALDH1A1NPSR1KDM4E
SCHEMBL4566093 0.78 NPC1 (0.49) LMNAALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL4188335 0.75 ALDH1A1 (0.46) LMNAALDH1A1NPSR1KDM4EMAPK1
SCHEMBL4338832 0.72 KDM4E (0.61) ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL4346565 0.71 ALDH1A1 (0.67) LMNAALDH1A1NPSR1KDM4ETSHR
SCHEMBL2990484 0.68 HDAC3 (0.65) LMNAALDH1A1MAPK1
SCHEMBL3679343 0.67 MEN1 (0.55) LMNAALDH1A1NPSR1KDM4ETSHR
SCHEMBL4797746 0.66 KMT2A (0.73) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL4784357 0.64 ALDH1A1 (0.54) LMNAALDH1A1KDM4ESMN1; SMN2HPGD

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