SCHEMBL8888641

SCHEMBL8888641

CCOc1cccc(-c2n[nH]c(-c3ccccc3)c2-c2ccc(=O)[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TTK P33981 4/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.44
FGFR2 P21802 3/20 0.43
FGFR3 P22607 3/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MAPK8 P45983 3/20 0.41
FGFR1 P11362 3/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8886941 0.88 NR1H2 (0.49) MAPTGAATP53SMN1; SMN2KDM4E
SCHEMBL8889202 0.86 CYP1A2 (0.41) MAPTTP53TTKCYP1A2MEN1
SCHEMBL8888264 0.85 CYP1A2 (0.44) MAPTGAATP53SMN1; SMN2CYP1A2
SCHEMBL8889663 0.83 CYP1A2 (0.47) MAPTGAATP53SMN1; SMN2KDM4E
SCHEMBL10967551 0.82 MAPT (0.60) MAPTGAATP53SMN1; SMN2TTK
SCHEMBL8889732 0.82 CYP1A2 (0.41) MAPTTP53SMN1; SMN2KDM4ECYP1A2
SCHEMBL8887621 0.82 CYP1A2 (0.50) MAPTTP53SMN1; SMN2TDP1KDM4E
SCHEMBL8890194 0.79 CYP1A2 (0.50) GAASMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL8888361 0.79 CYP1A2 (0.50) MAPTTP53CYP1A2HPGD
SCHEMBL8887885 0.79 CYP1A2 (0.50) MAPTGAATP53SMN1; SMN2KDM4E

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-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed