SCHEMBL7206702

SCHEMBL7206702

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AR P10275 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
GSK3B P49841 1/20 0.37
GAA P10253 1/20 0.37
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 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
SCHEMBL7206700 0.85 RAB9A (0.45) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL7208732 0.85 KMT2A (0.49) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL7206967 0.76 GNRHR (0.47) KMT2APOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7597582 0.73 ALDH1A1 (0.38) KMT2ARAB9AALDH1A1MAPTKDM4E
SCHEMBL8487097 0.72 MAPT (0.47) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL7208726 0.71 GRM6 (0.46) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL7841181 0.71 ALDH1A1 (0.36) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL29416860 0.70 TNKS (0.36) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL7855284 0.69 CYP2C9 (0.36) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL7203152 0.68 GNRHR (0.48) KMT2ARAB9ASMN1; SMN2ALDH1A1

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