SCHEMBL8992946

SCHEMBL8992946

COc1cc(Cc2ccc(-c3cnn(C(N)=O)c3N)cc2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
GRM2 Q14416 6/20 0.41
CALM1 P0DP23 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHEK2 O96017 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
LTA4H P09960 2/20 0.37
CYP19A1 P11511 1/20 0.36
IDH1 O75874 1/20 0.36
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 1/20 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
SCHEMBL8993005 0.90 LTA4H (0.49) MAPKAPK2GRM2KMT2AMEN1CHEK2
SCHEMBL8993194 0.81 PLA2G2A (0.44) NPC1RAB9AKMT2AMEN1LTA4H
SCHEMBL8992766 0.79 LTA4H (0.46) NPC1RAB9AKMT2ALTA4HALDH1A1
SCHEMBL8993010 0.77 GPR52 (0.47) MAPKAPK2NPC1RAB9AKMT2AMEN1
SCHEMBL9218801 0.71 NPC1 (0.54) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL8993148 0.69 KMT2A (0.41) CALM1NPC1RAB9AKMT2AMAPT
SCHEMBL8993248 0.67 CALM1 (0.59) CALM1LTA4HCYP19A1ALDH1A1
SCHEMBL28598360 0.65 RXRA (0.62) CALM1NPC1RAB9ALTA4HALDH1A1
SCHEMBL19039706 0.64 CYP19A1 (0.67) CALM1LTA4HCYP19A1ALDH1A1GAA
SCHEMBL5252553 0.63 ALDH1A1 (0.65) CALM1LTA4HCYP19A1ALDH1A1

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