SCHEMBL8887907

SCHEMBL8887907

CC(=O)c1c(-c2cccc(C)c2)n[nH]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.43
MAPK14 Q16539 3/20 0.43
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
MAP2K4 P45985 2/20 0.42
HTR7 P34969 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
GRK6 P43250 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
PIN1 Q13526 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL8889764 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMAP2K4CCNE2CDK4
SCHEMBL8889929 0.86 MAPK13 (0.44) SMN1; SMN2MAPK14MAP2K4CCNE2CDK4
SCHEMBL8889349 0.86 ALDH1A1 (0.48) SMN1; SMN2MAP2K4CCNE2CDK4CCND1
SCHEMBL17279847 0.85 CCNE2 (0.45) SMN1; SMN2MAPTMAP2K4CCNE2CDK4
SCHEMBL8888325 0.85 IDO1 (0.49) SMN1; SMN2MAPTMAPK14HTR7PIN1
SCHEMBL8889925 0.85 MAP2K4 (0.45) SMN1; SMN2MAPK14MAP2K4HTR7CCNE2
SCHEMBL8889130 0.83 FGFR1 (0.47) SMN1; SMN2MAP2K4CCNE2CDK4CCND1
SCHEMBL8889750 0.83 GAA (0.48) SMN1; SMN2MAPTMAPK14CSNK1DCDK2
SCHEMBL8889365 0.81 IDO1 (0.49) SMN1; SMN2MAPTMAPK14ALDH1A1RXRA
SCHEMBL8887645 0.81 RXRA (0.47) SMN1; SMN2MAPTALDH1A1RXRARXRB

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