SCHEMBL9213356

SCHEMBL9213356

CSc1ccc(-c2cnn3c(O)ncnc23)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
MAPT P10636 6/20 0.36
NPC1 O15118 9/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FYN P06241 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRM2 Q14416 1/20 0.33
KDR P35968 3/20 0.32

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
SCHEMBL9220203 0.90 RAB9A (0.34) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9210159 0.86 RAB9A (0.34) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9216083 0.85 ALDH1A1 (0.36) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9215740 0.84 KMO (0.41) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9168959 0.84 RAB9A (0.38) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9216515 0.83 RAB9A (0.34) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9215050 0.83 MAPT (0.43) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9216188 0.81 RAB9A (0.36) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9215802 0.79 RAB9A (0.38) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL9215456 0.79 TTR (0.38) 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 2 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