SCHEMBL8992832

SCHEMBL8992832

O=C(O)c1cnc2c(-c3ccc(Cc4ccccc4)cc3)cnn2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
BRS3 P32247 5/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
STAT1 P42224 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.44
HCAR2 Q8TDS4 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8993229 0.89 BRS3 (0.52) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8992780 0.87 BRS3 (0.54) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8992993 0.86 NPC1 (0.68) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8992794 0.83 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL9165136 0.83 RAB9A (0.52) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8992774 0.81 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8992889 0.81 HCAR2 (0.50) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL19668727 0.78 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4708839 0.78 PTPN1 (0.44) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8993105 0.77 BRS3 (0.45) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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