SCHEMBL9716896

SCHEMBL9716896

CCCCCCCCCCCCOc1ccccc1CC(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
GPR88 Q9GZN0 2/20 0.46
CNR2 P34972 2/20 0.44
GALR1 P47211 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 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
SCHEMBL9716828 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL282320 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716945 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716944 0.94 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716966 0.94 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716973 0.94 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9717020 0.94 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL7075139 0.89 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716987 0.84 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716943 0.84 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1

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-1992009561-A1 NEW AMIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-06-11 WO disclosed