SCHEMBL7207512

SCHEMBL7207512

COc1ccc(-c2sc(N)c(C(=O)O)c2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 7/20 0.71
GRM5 P41594 1/20 0.61
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 2/20 0.46
MDM2 Q00987 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CISD2 Q8N5K1 1/20 0.46
IKBKB O14920 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL6159255 0.87 GRM6 (0.78) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL27461391 0.86 GRM6 (0.60) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL7957161 0.84 GRM6 (0.77) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL6160814 0.83 GRM6 (1.00) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL6161028 0.82 GRM6 (0.70) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL14485422 0.80 PTPN1 (0.53) GRM6ALDH1A1HPGDGAAMAPT
SCHEMBL12297930 0.79 ALDH1A1 (0.67) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL26637734 0.78 GRM6 (0.52) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL10714368 0.76 GRM6 (1.00) GRM6GRM5ALDH1A1HPGDGAA
SCHEMBL6821812 0.75 GRM6 (0.46) GRM6GRM5ALDH1A1HPGDGAA

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 15 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
CN-1064045-C Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN disclosed
CN-1063446-C Thienopyridine derivatives as gonadotropin releasing hormone antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-21 CN 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
US-6015789-A LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-18 US disclosed
US-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0906115-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 1999-04-07 EP disclosed
CN-1200124-A Thienopyridine derivatives as gonadotropin releasing hormone antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-11-25 CN disclosed
CN-1173868-A Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-02-18 CN disclosed
EP-0808317-A1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-11-26 EP disclosed
WO-1997040846-A1 COMBINED USE OF GnRH AGONIST AND ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-06 WO disclosed
EP-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP disclosed
WO-1996024597-A1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-15 WO disclosed
CN-1106663-A Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-16 CN disclosed