SCHEMBL27705682

SCHEMBL27705682

CC(C#N)c1cccc(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
NAMPT P43490 1/20 0.39
KAT6A Q92794 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 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
SCHEMBL29337963 0.85 HTR6 (0.50) HTR6SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL10179635 0.81 HTR6 (0.54) HTR6SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL10192332 0.77 HDAC4 (0.54) HTR6SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL27870611 0.75 PTGS2 (0.57) HTR6SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL11300578 0.75 SMN1; SMN2 (0.52) HTR6SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL27705670 0.74 SMN1; SMN2 (0.45) HTR6SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL1882668 0.74 SMN1; SMN2 (0.45) HTR6SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL198507 0.74 TSHR (0.52) ALDH1A1MAPTPOLBLMNATSHR
SCHEMBL28208618 0.74 TSHR (0.52) ALDH1A1MAPTPOLBLMNATSHR
SCHEMBL7039581 0.74 TSHR (0.52) ALDH1A1MAPTPOLBLMNATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN disclosed