SCHEMBL2176940

SCHEMBL2176940

CCC(c1cccc(OC)c1)C(C#N)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
KCNA5 P22460 1/20 0.42
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MMP13 P45452 2/20 0.37
STAT1 P42224 1/20 0.37
KMT2A Q03164 2/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 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
SCHEMBL2176941 0.90 ACHE (0.40) MAPTTP53KCNA5ALDH1A1SMN1; SMN2
SCHEMBL29950797 0.83 MAPT (0.46) MAPTTP53ALDH1A1LMNANPC1
SCHEMBL2177096 0.80 ALDH1A1 (0.45) MAPTTP53KCNA5ALDH1A1LMNA
SCHEMBL7937534 0.77 MAPT (0.45) MAPTTP53KCNA5ALDH1A1LMNA
SCHEMBL2318294 0.76 TP53 (0.43) MAPTTP53KCNA5ALDH1A1CHRM2
SCHEMBL2323676 0.76 TP53 (0.43) MAPTTP53KCNA5ALDH1A1CHRM2
SCHEMBL2363585 0.76 TP53 (0.43) MAPTTP53KCNA5ALDH1A1CHRM2
SCHEMBL21926455 0.76 MAPT (0.48) MAPTTP53ALDH1A1LMNANPC1
SCHEMBL2177637 0.76 CASR (0.44) L3MBTL1KMT2A
SCHEMBL2178067 0.76 AOC3 (0.43) MAPTALDH1A1LMNACHRM2CHRM1

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-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed