SCHEMBL3686293

SCHEMBL3686293

CCc1cc(Cc2cc(CC)c(CN)c(CC)c2Cl)c(Cl)c(CC)c1CN

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
DHFR P00374 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25765759 0.87 DHFR (0.33) DHFRSMN1; SMN2
SCHEMBL31123394 0.83 NOS3 (0.35) CSNK2A2CSNK2BCSNK2A1CSNK2A3DHFR
SCHEMBL27792672 0.78 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15262 0.78 HTT (0.38) DHFRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL3684772 0.76 HTT (0.37) DHFRSMN1; SMN2
SCHEMBL3678945 0.76 DHFR (0.36) DHFRSMN1; SMN2
SCHEMBL25768049 0.75
SCHEMBL31122964 0.75 GRIN2D (0.35) SMN1; SMN2
SCHEMBL26030188 0.75 ALDH1A1 (0.33)
SCHEMBL5141186 0.73

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-20100108260-A1 Two-Component Adhesive NOLAX AG (CH) 2010-05-06 US disclosed