SCHEMBL7573464

SCHEMBL7573464

CCOC(=O)c1cnc2cc(Br)c(C)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 2/20 0.46
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
AURKB Q96GD4 1/20 0.41
DPP4 P27487 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15054272 0.88 MAPK1 (0.45) MAPTTP53MAPK1GAANPSR1
SCHEMBL10518080 0.87 MEN1 (0.52) MAPTTP53MAPK1GAANPSR1
SCHEMBL21050728 0.87 MAPT (0.46) MAPTTP53MAPK1GAANPSR1
SCHEMBL15055104 0.85 GAA (0.46) MAPTTP53MAPK1GAANPSR1
SCHEMBL15054971 0.85 HSP90AA1 (0.43) MAPTTP53MAPK1GAANPSR1
SCHEMBL11393991 0.85 MAPT (0.48) MAPTTP53MAPK1GAANPSR1
SCHEMBL2911498 0.85 MEN1 (0.52) MAPTTP53MAPK1GAANPSR1
SCHEMBL18530485 0.84 KDM4E (0.44) MAPTTP53MAPK1GAANPSR1
SCHEMBL8660777 0.82 GABRP (0.41) MAPTTP53MEN1KMT2ATHRB
SCHEMBL529424 0.82 MAPK1 (0.66) MAPTTP53MAPK1GAANPSR1

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
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed
EP-0876349-B1 QUINOLINE DERIVATIVES AS GNRH ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-09-11 EP disclosed
US-6087503-A ACID, ESTER OR AMIDE DERIVATIVES FOR CONTROL OF HORMONES ESPECIALLY IN HORMONE RELATED CANCER TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-07-11 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-1200114-A Quinoline derivatives as GNRH antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-11-25 CN disclosed
US-5807869-A Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-15 US 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