SCHEMBL7206967

SCHEMBL7206967

CCOC(=O)Cn1c(=O)c2c(C)c(-c3ccc([N+](=O)[O-])cc3)sc2n(Cc2ccccc2F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7203152 0.91 GNRHR (0.48) GNRHRALDH1A1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7203039 0.87 GNRHR (0.62) GNRHR
SCHEMBL7852099 0.78 GNRHR (0.52) GNRHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7592330 0.78 MEN1 (0.40) GNRHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7851652 0.78 GNRHR (0.51) GNRHRKMT2APOLB
SCHEMBL7857100 0.77 GNRHR (0.55) GNRHRALDH1A1KMT2APOLB
SCHEMBL7851488 0.77 MEN1 (0.40) GNRHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7850471 0.76 GNRHR (0.48) GNRHRALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7597400 0.76 GNRHR (0.48) GNRHRALDH1A1KMT2APOLB
SCHEMBL7596246 0.76 MEN1 (0.49) GNRHRALDH1A1KMT2ASMN1; SMN2POLB

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 5 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
WO-1995028405-A1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed