SCHEMBL8886941

SCHEMBL8886941

COc1cccc(-c2n[nH]c(-c3ccccc3)c2-c2ccc(=O)[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
NOTUM Q6P988 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43

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
SCHEMBL8889051 0.88 LMNA (0.60) LMNATP53CYP1A2GAAMAPT
SCHEMBL8888641 0.88 MAPT (0.46) TP53CYP1A2GAASMN1; SMN2MAPT
SCHEMBL8888264 0.88 CYP1A2 (0.44) NR1H2NR1H3LMNATP53CYP1A2
SCHEMBL8889732 0.85 CYP1A2 (0.41) NR1H2NR1H3LMNATP53CYP1A2
SCHEMBL8887621 0.84 CYP1A2 (0.50) LMNATP53CYP1A2MAPK14SMN1; SMN2
SCHEMBL8889202 0.83 CYP1A2 (0.41) TP53CYP1A2MAPTKMT2AMEN1
SCHEMBL8890194 0.82 CYP1A2 (0.50) CYP1A2MAPK13RAF1MAPK12MAPK11
SCHEMBL8887885 0.82 CYP1A2 (0.50) LMNATP53CYP1A2MAPK13RAF1
SCHEMBL8888361 0.82 CYP1A2 (0.50) TP53CYP1A2MAPK13RAF1MAPK12
SCHEMBL8889663 0.81 CYP1A2 (0.47) LMNATP53CYP1A2GAASMN1; SMN2

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