SCHEMBL2176941

SCHEMBL2176941

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HSD11B1 P28845 1/20 0.36
PFKFB3 Q16875 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL2176940 0.90 MAPT (0.43) ACHEMAPTTP53KMT2AKDM4E
SCHEMBL2178067 0.75 AOC3 (0.43) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL2177637 0.75 CASR (0.44) KMT2AL3MBTL1
SCHEMBL11618270 0.72 AOC3 (0.51) ACHECA1CA2CA9L3MBTL1
SCHEMBL29950797 0.72 MAPT (0.46) ACHEFFAR4MAPTTP53KMT2A
SCHEMBL2179422 0.71 L3MBTL1 (0.49) KMT2AKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2177096 0.70 ALDH1A1 (0.45) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL7652207 0.69 KMT2A (0.49) ACHEKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL29061992 0.69 KMT2A (0.49) ACHEKMT2AL3MBTL1CHRM2CHRM1
SCHEMBL15474102 0.69 L3MBTL1 (0.40) ALDH1A1L3MBTL1CHRM2CHRM1CHRM3

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