SCHEMBL13890885

SCHEMBL13890885

Bc1ccc(SCCC(=O)Nc2c(C(=O)OC)oc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4194030 0.90 LMNA (0.55) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL4190437 0.81 LMNA (0.61) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL4196907 0.80 ALDH1A1 (0.57) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL4346565 0.76 ALDH1A1 (0.67) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL15714287 0.73 TSHR (0.68) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL16902654 0.72 SMN1; SMN2 (0.66) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL16905806 0.70 KDM4E (0.65) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL15714138 0.70 TSHR (0.73) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL2392417 0.70 SMN1; SMN2 (0.63) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL17179761 0.69 SMN1; SMN2 (0.62) LMNAALDH1A1KDM4ESMN1; SMN2NPSR1

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