SCHEMBL8570701

SCHEMBL8570701

Cc1noc(C)c1CN1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.46
TSHR P16473 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS2R8 Q9NYW2 11/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RIPK3 Q9Y572 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
SCHEMBL2204904 0.75 TDP1 (0.65) TDP1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL18742872 0.64
SCHEMBL314480 0.63
SCHEMBL7567498 0.63 F2 (0.43) ALDH1A1HSD17B10
SCHEMBL96070 0.63
SCHEMBL8846019 0.62 TNF (0.33)
SCHEMBL7981346 0.62 ALDH1A1 (0.43) ALDH1A1TSHRHTTSMN1; SMN2HSD17B10
SCHEMBL15814506 0.61 BRD4 (0.73) TDP1TSHRHTTSMN1; SMN2HSD17B10
SCHEMBL2056168 0.61
SCHEMBL18535556 0.60 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10231285-A None JP disclosed
JP-H10231285-A PHTHALIMIDE DERIVATIVE OR ITS SALT, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVE ISHIHARA SANGYO KAISHA LTD 1998-09-02 JP disclosed