SCHEMBL903237

SCHEMBL903237

Cc1nnc2c(n1)[nH]c1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 3/20 0.56
TP53 P04637 2/20 0.56
CASP1 P29466 2/20 0.56
MAPK10 P53779 2/20 0.56
CASP7 P55210 2/20 0.56
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
CNR2 P34972 3/20 0.54
MAPK1 P28482 3/20 0.51
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL6739008 0.79 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL29506282 0.79 MAPT (0.65) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8004823 0.78 NPC1 (0.66) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL6686925 0.76 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL29506285 0.76 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL12839874 0.74 CNR2 (0.76) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1521622 0.73 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL6689412 0.73 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9436882 0.72 NPC1 (0.72) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL19933073 0.72 CNR2 (0.85) MAPTNPC1RAB9ASMN1; SMN2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041524-A1 HYDRAZONOPYRAZOLONES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2012-04-05 WO disclosed