SCHEMBL8400330

SCHEMBL8400330

CCOC(=O)CCC(=O)N(CC#N)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL8395843 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AKDM4EATM
SCHEMBL8396622 0.89 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8395306 0.89 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AKDM4EATM
SCHEMBL8395828 0.89 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8400320 0.89 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AATMRAB9AALDH1A1
SCHEMBL8398077 0.89 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AKDM4ECYP4F2
SCHEMBL8396419 0.88 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EATMRAB9APOLB
SCHEMBL8396219 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AKDM4ECYP4F2
SCHEMBL8395198 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AKDM4ECYP4F2
SCHEMBL8399243 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ACYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed