SCHEMBL8992955

SCHEMBL8992955

Oc1ncnc2c(-c3ccc(Cc4ccccc4)cc3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.41
GPR119 Q8TDV5 12/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPT P10636 2/20 0.39
FYN P06241 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
STAT1 P42224 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8992965 0.88 GPR119 (0.41) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL8993213 0.88 RAB9A (0.46) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL9172768 0.87 RAB9A (0.55) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL8993403 0.87 RAB9A (0.44) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL8992922 0.87 GPR119 (0.43) NPC1RAB9AMEN1KMT2AGPR119
SCHEMBL8993290 0.86 GPR119 (0.41) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL8992990 0.85 KMT2A (0.48) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL9222652 0.85 GSTP1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8992950 0.84 LTA4H (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9219403 0.84 NPC1 (0.39) NPC1RAB9AMEN1KMT2ARXFP1

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