SCHEMBL8993005

SCHEMBL8993005

COc1cccc(Cc2ccc(-c3cnn(C(N)=O)c3N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GPR52 Q9Y2T5 2/20 0.44
BRS3 P32247 1/20 0.43
PRKCZ Q05513 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHEK2 O96017 1/20 0.42
GRM2 Q14416 2/20 0.41
DHFR P00374 1/20 0.41
PRKCI P41743 1/20 0.41
KCNH2 Q12809 1/20 0.41
LTB4R Q15722 1/20 0.41
NR3C2 P08235 1/20 0.41
IDH1 O75874 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
RIPK2 O43353 1/20 0.40
ALKBH1 Q13686 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
SCHEMBL8992946 0.90 MAPKAPK2 (0.46) LTA4HMAPKAPK2MEN1KMT2ACHEK2
SCHEMBL8993010 0.87 GPR52 (0.47) LTA4HMTNR1AMTNR1BGPR52PRKCZ
SCHEMBL8992766 0.85 LTA4H (0.46) LTA4HBRS3KMT2ANR3C2
SCHEMBL8993194 0.84 PLA2G2A (0.44) LTA4HBRS3MEN1KMT2A
SCHEMBL8992951 0.72 LTA4H (0.57) LTA4HMTNR1AMTNR1BBRS3DHFR
SCHEMBL8992780 0.72 BRS3 (0.54) BRS3EGLN1ALKBH1
SCHEMBL9218801 0.71 NPC1 (0.54) MEN1KMT2ACHEK2RIPK2
SCHEMBL8992815 0.71 LTA4H (0.43) LTA4HMTNR1AMTNR1BGPR52BRS3
SCHEMBL8992950 0.71 LTA4H (0.43) LTA4HMTNR1AMTNR1BBRS3MEN1
SCHEMBL8136072 0.70 TAAR1 (0.61) LTA4HMTNR1AMTNR1BDHFR

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