SCHEMBL7208726

SCHEMBL7208726

CCOC(=O)Cn1c(=O)[nH]c2sc(-c3ccc(OC)cc3)c(C)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.46
GNRHR P30968 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 4/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
FPR1 P21462 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
GSK3B P49841 2/20 0.37
CLK1 P49759 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL7597582 0.90 ALDH1A1 (0.38) KMT2AKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL7841181 0.87 ALDH1A1 (0.36) KMT2AMEN1PPARGPOLBKDM4E
SCHEMBL7206700 0.86 RAB9A (0.45) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL7855284 0.85 CYP2C9 (0.36) KMT2AMEN1PPARGPOLBKDM4E
SCHEMBL7853865 0.85 PPARG (0.41) KMT2AMEN1PPARGPOLBKDM4E
SCHEMBL7208732 0.84 KMT2A (0.49) GRM6GNRHRKMT2AMEN1PPARG
SCHEMBL7203074 0.81 MEN1 (0.43) GRM6GNRHRKMT2AMEN1KDM4E
SCHEMBL7590537 0.80 ALDH1A1 (0.46) KMT2AMEN1PPARGPOLBKDM4E
SCHEMBL7593499 0.77 ALDH1A1 (0.42) KMT2APPARGKDM4EALDH1A1HSD17B10
SCHEMBL19939894 0.75 ALDH1A1 (0.41) KMT2AMEN1POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808317-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-10 EP disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed
US-6048863-A SEXUAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
EP-0808317-A1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-11-26 EP disclosed
WO-1996024597-A1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-15 WO disclosed
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed