SCHEMBL8992949

SCHEMBL8992949

COc1cccc(Cc2ccc(-c3c[nH]nc3N)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
FGFR1 P11362 1/20 0.44
FGFR4 P22455 1/20 0.44
LTA4H P09960 1/20 0.44
GPR52 Q9Y2T5 1/20 0.41
ALPL P05186 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HTR1B P28222 1/20 0.40
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADCY10 Q96PN6 1/20 0.39
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8993074 0.88 DHFR (0.49) DHFRFGFR1FGFR4LTA4HHTR1B
SCHEMBL8993365 0.87 MPO (0.44) DHFRLTA4HMEN1KMT2AIDO1
SCHEMBL8992951 0.84 LTA4H (0.57) DHFRFGFR1FGFR4LTA4HADORA1
SCHEMBL4700185 0.78 TDO2 (0.55) ADORA2AADORA1KMT2A
SCHEMBL8993010 0.75 GPR52 (0.47) DHFRLTA4HGPR52MEN1KMT2A
SCHEMBL5648684 0.74 CNR2 (0.52) DHFRFGFR1FGFR4CNR2CNR1
SCHEMBL8993136 0.73 CNR2 (0.46) DHFRFGFR1FGFR4CNR2ADCY10
SCHEMBL5646180 0.72 ANO1 (0.50) DHFRFGFR1FGFR4CNR2CNR1
SCHEMBL8992834 0.71 LTA4H (0.53) LTA4HIDO1TAAR1
SCHEMBL8993225 0.71 IDH1 (0.47) DHFRFGFR1FGFR4CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed