SCHEMBL9218344

SCHEMBL9218344

COc1cc(-c2cnn3c(O)ncnc23)ccc1[S+](C)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
FYN P06241 1/20 0.40
GAK O14976 1/20 0.37
NPC1 O15118 5/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
KDR P35968 3/20 0.33
RET P07949 2/20 0.33
KIF5B P33176 2/20 0.33
ETV6 P41212 2/20 0.33
PIK3CG P48736 2/20 0.33

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
SCHEMBL9216127 0.86 GAK (0.41) MAPTFYNGAKNPC1KMT2A
Water SCHEMBL9219126 0.86 GAK (0.40) MAPTFYNGAKNPC1KMT2A
Water SCHEMBL9215711 0.86 GAK (0.40) MAPTFYNGAKNPC1KMT2A
SCHEMBL9211898 0.85 RAB9A (0.33) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL9219353 0.85 MAPT (0.56) MAPTFYNGAKNPC1KMT2A
SCHEMBL9220988 0.82 MAPT (0.45) MAPTFYNGAKNPC1KMT2A
SCHEMBL9218703 0.80 MAPT (0.48) MAPTFYNGAKNPC1KMT2A
SCHEMBL9215050 0.80 MAPT (0.43) MAPTFYNGAKNPC1KMT2A
SCHEMBL9219409 0.80 SMPD3 (0.41) MAPTFYNGAKNPC1KMT2A
SCHEMBL9218934 0.78 RAB9A (0.36) MAPTNPC1KMT2ASMN1; SMN2RAB9A

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