SCHEMBL7206700

SCHEMBL7206700

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AR P10275 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
GSK3B P49841 1/20 0.38

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 0.88 ALDH1A1 (0.38) RAB9AALDH1A1MAPTKMT2AKDM4E
SCHEMBL7206702 0.85 MEN1 (0.46) RAB9ASMN1; SMN2ALDH1A1ARMAPT
SCHEMBL7841181 0.85 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL7593499 0.75 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL7206967 0.75 GNRHR (0.47) RAB9ASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL19939894 0.73 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL4248933 0.73 ALDH1A1 (0.46) RAB9AALDH1A1MAPTMEN1POLB
SCHEMBL7853865 0.71 PPARG (0.41) RAB9AALDH1A1MAPTMEN1POLB
SCHEMBL5131718 0.70 ADORA2B (0.45) ALDH1A1MAPTMEN1POLBKMT2A
SCHEMBL7208732 0.70 KMT2A (0.49) RAB9AALDH1A1MEN1POLBKMT2A

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 10 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
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 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-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 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
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed