SCHEMBL7500276

SCHEMBL7500276

CCOC(=O)Cc1cnc2sc(-c3ccc(OC)cc3)c(CBr)c2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM6 O15303 1/20 0.39
RAB9A P51151 3/20 0.39
IDO1 P14902 1/20 0.38
HSD17B10 Q99714 3/20 0.36
THRB P10828 1/20 0.36
FPR1 P21462 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 4/20 0.36
ALOX15 P16050 1/20 0.36
DPP4 P27487 2/20 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
SCHEMBL7502345 0.83 GNRHR (0.54)
SCHEMBL6822486 0.72 GRM6 (0.54) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL7010058 0.71 ALOX5 (0.40) KMT2AMEN1KDM4EALDH1A1GRM6
SCHEMBL7006101 0.69 GNRHR (0.64)
SCHEMBL16893495 0.68 GRM6 (0.48) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL16904653 0.67 MAPT (0.53) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL7525431 0.66 GRM6 (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL16893475 0.66 MEN1 (0.53) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL16893496 0.64 KMT2A (0.48) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL16893445 0.64 MAPT (0.48) MAPTKMT2AMEN1POLBKDM4E

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-0781774-B1 Prolactin production inhibitory agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-07-31 EP 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
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