SCHEMBL9215696

SCHEMBL9215696

CCc1ccc(-c2cnn3c(O)ncnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPT P10636 2/20 0.41
PDE2A O00408 8/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
STAT1 P42224 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
GPR119 Q8TDV5 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 0.85 GPR119 (0.41) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL9213595 0.84 UCHL1 (0.54) LMNAMAPTALDH1A1TP53MEN1
SCHEMBL9220305 0.84 RAB9A (0.43) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL8992955 0.83 NPC1 (0.43) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL9214077 0.82 RAB9A (0.37) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL8993213 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL8992990 0.82 KMT2A (0.48) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL8993290 0.81 GPR119 (0.41) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL9219403 0.81 NPC1 (0.39) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL9219561 0.81 RAB9A (0.52) RAB9ASMN1; SMN2NPC1LMNAPOLB

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