SCHEMBL11688317

SCHEMBL11688317

CNS(=O)(=O)c1cc(C(F)(F)F)c(N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.42
▸ FFAR1 O14842 3/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KIF11 P52732 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 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
SCHEMBL4612138 0.80 GAA (0.46) KMT2ACYP3A4CA12CA1CA2
SCHEMBL11516721 0.79 CA1 (0.42) FFAR4FFAR1CYP3A4KIF11CA12
SCHEMBL11687785 0.79 GSTO1 (0.45) FFAR4FFAR1CA12CA1CA2
SCHEMBL11532496 0.76 CA1 (0.46) KMT2ACYP3A4CA12CA1CA2
SCHEMBL9645120 0.76 CA1 (0.70) KMT2ACYP2C9CA12CA1CA2
SCHEMBL9647099 0.74 CA1 (0.49) KMT2AMEN1CYP3A4CA12CA1
SCHEMBL11335802 0.74 CA1 (0.41) FFAR4FFAR1KIF11CA12CA1
SCHEMBL10810880 0.73 GAA (0.53) KMT2AMEN1SMN1; SMN2CA12CA1
SCHEMBL11331418 0.73 KAT6A (0.43) FFAR4FFAR1KMT2AMEN1SMN1; SMN2
SCHEMBL10810647 0.72 CA1 (0.70) KMT2ACA12CA1CA2CA4

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
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — US disclosed
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