SCHEMBL9219923

SCHEMBL9219923

Oc1ncnc2c(-c3ccc(Br)cc3)cnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
RAB9A P51151 13/20 0.39
NPC1 O15118 12/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 9/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL9215756 0.87 SRC (0.45) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9221670 0.84 RAB9A (0.45) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9219561 0.84 RAB9A (0.52) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9220305 0.84 RAB9A (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9213350 0.84 RAB9A (0.52) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9172768 0.84 RAB9A (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9220405 0.83 RAB9A (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9219429 0.82 PIK3CD (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9219419 0.81 ALDH1A1 (0.34) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9217938 0.81 CYP11B2 (0.46) LCKKDR

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