SCHEMBL8993365

SCHEMBL8993365

Cc1cccc(Cc2ccc(-c3c[nH]nc3N)cc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.44
LTA4H P09960 1/20 0.41
IDO1 P14902 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
DAO P14920 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8992949 0.87 DHFR (0.49) LTA4HIDO1TAAR1MEN1KMT2A
SCHEMBL8992834 0.84 LTA4H (0.53) MPOLTA4HIDO1TAAR1ALDH1A1
SCHEMBL11743569 0.78 LRRK2 (0.49) IDO1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8993074 0.75 DHFR (0.49) LTA4HIDO1TAAR1DHFRROCK2
SCHEMBL4421819 0.72 MPO (0.48) MPOLTA4HIDO1TAAR1DAO
SCHEMBL8992899 0.71 FYN (0.40) MPOLTA4HMEN1KMT2A
SCHEMBL8093981 0.71 TAAR1 (0.46) MPOLTA4HIDO1TAAR1DAO
SCHEMBL8992935 0.69 TAAR1 (0.41) MPOLTA4HIDO1TAAR1ALDH1A1
SCHEMBL8992951 0.69 LTA4H (0.57) LTA4HIDO1TAAR1DHFR
SCHEMBL20730424 0.68 FGFR1 (0.40) TDP1CYP3A4KMT2A

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