SCHEMBL8992934

SCHEMBL8992934

Oc1ccnc2c(-c3ccc(Cc4ccccc4)cc3)cnn12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
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
SCHEMBL8993247 0.87 GPR119 (0.49) GPR119
SCHEMBL8992815 0.84 LTA4H (0.43) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL7900015 0.81 NPC1 (0.44) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL8992955 0.81 NPC1 (0.43) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL8992869 0.79 GPR119 (0.48) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL8992995 0.79 GPR119 (0.47) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL8992832 0.77 RAB9A (0.52) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL13990623 0.75 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL19668727 0.74 RAB9A (0.51) GPR119NPC1RAB9AMEN1KMT2A
SCHEMBL20137287 0.72 NPC1 (0.43) GPR119NPC1RAB9AMEN1KMT2A

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