SCHEMBL9215802

SCHEMBL9215802

CSc1ccc(-c2cnn3c(O)ncnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 11/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
LCK P06239 3/20 0.36
HCK P08631 3/20 0.36
SRC P12931 3/20 0.36
KDR P35968 3/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL9170238 0.85 KDR (0.40) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9214077 0.85 RAB9A (0.37) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9216208 0.84 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9220305 0.84 RAB9A (0.43) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9170597 0.83 RAB9A (0.43) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9220203 0.83 RAB9A (0.34) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9215756 0.83 SRC (0.45) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9222027 0.83 RAB9A (0.37) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9219561 0.81 RAB9A (0.52) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9219923 0.81 DGAT1 (0.39) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1

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
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed