SCHEMBL8993403

SCHEMBL8993403

Oc1ncnc2c(-c3ccc(Cc4cccc(Cl)c4)cc3)cnn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 1/20 0.39
FYN P06241 1/20 0.39
BRS3 P32247 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
SRC P12931 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 1/20 0.37
PDE1B Q01064 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8993213 0.88 RAB9A (0.46) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL8992955 0.87 NPC1 (0.43) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL8992922 0.86 GPR119 (0.43) RAB9ANPC1KMT2AMEN1FYN
SCHEMBL8992950 0.84 LTA4H (0.43) RAB9ANPC1KMT2AMEN1FYN
SCHEMBL9219234 0.83 NPC1 (0.57) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL8992965 0.81 GPR119 (0.41) RAB9ANPC1KMT2AMEN1GPR119
SCHEMBL9219561 0.80 RAB9A (0.52) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL8992830 0.79 RAB9A (0.38) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL8992809 0.78 HSP90AB1 (0.41) KMT2AMEN1RXFP1FYNMAPT
SCHEMBL8992990 0.78 KMT2A (0.48) RAB9ANPC1KMT2AMEN1RXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US claimed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP claimed
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