SCHEMBL7203074

SCHEMBL7203074

COc1ccc(-c2sc3[nH]c(=O)n(CC(C)C)c(=O)c3c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GNRHR P30968 2/20 0.42
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
GAA P10253 3/20 0.37
GLA P06280 1/20 0.37
GRM6 O15303 1/20 0.37
GLP1R P43220 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ADORA2B P29275 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL5132710 0.80 TMIGD3 (0.38) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5132273 0.76 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5133074 0.76 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7747096 0.76 ALDH1A1 (0.46) MEN1KMT2AGNRHRKDM4EALDH1A1
SCHEMBL7749085 0.75 NTRK1 (0.48) MEN1KMT2AGNRHRKDM4EALDH1A1
SCHEMBL5132706 0.74 PIK3CA (0.38) GRIN1GRIN2BADRA1DADRA1AADRA1B
SCHEMBL5130817 0.74 ADORA2B (0.58) ADORA2B
SCHEMBL5133471 0.73 PDE1A (0.34) MEN1KMT2AGNRHRKDM4EALDH1A1
SCHEMBL5130709 0.73 GSTP1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5133070 0.73 PDE1A (0.35) MEN1KMT2AKDM4EALDH1A1GAA

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 6 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-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-0781774-A2 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-02 EP disclosed