SCHEMBL7208732

SCHEMBL7208732

CCOC(=O)Cn1c(=O)[nH]c(=O)c2c(C)c(-c3ccc(OC)cc3)sc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
GNRHR P30968 6/20 0.46
GRM6 O15303 1/20 0.46
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
TPH1 P17752 1/20 0.39
TPH2 Q8IWU9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 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
SCHEMBL7206702 0.85 MEN1 (0.46) KMT2AMEN1PPARGPOLBTPH1
SCHEMBL7208726 0.84 GRM6 (0.46) KMT2AMEN1GNRHRGRM6PPARG
SCHEMBL7841825 0.76 GNRHR (0.51) KMT2AMEN1GNRHRGRM6TP53
SCHEMBL7851652 0.74 GNRHR (0.51) KMT2AMEN1GNRHRGRM6TP53
SCHEMBL7850471 0.73 GNRHR (0.48) KMT2AMEN1GNRHRTP53POLB
SCHEMBL7597400 0.73 GNRHR (0.48) KMT2AMEN1GNRHRTP53POLB
SCHEMBL7597582 0.73 ALDH1A1 (0.38) KMT2ATPH1TPH2KDM4EALDH1A1
SCHEMBL7854243 0.73 GNRHR (0.47) KMT2AMEN1GNRHRTP53POLB
SCHEMBL7595052 0.72 GNRHR (0.54) KMT2AMEN1GNRHR
SCHEMBL7590537 0.71 ALDH1A1 (0.46) KMT2AMEN1PPARGTP53HPGD

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