SCHEMBL29337963

SCHEMBL29337963

CC(C#N)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
CHRM2 P08172 6/20 0.49
CHRM1 P11229 6/20 0.49
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 2/20 0.41
ABCC1 P33527 2/20 0.41
HSD11B1 P28845 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27705682 0.85 HTR6 (0.45) HTR6CHRM2CHRM1ALDH1A1MAPT
SCHEMBL1824882 0.79 TDP1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL4616465 0.79 ALDH1A1 (0.61) HTR6CHRM2CHRM1ALDH1A1MAPT
SCHEMBL156029 0.78 TSHR (0.52) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL28208618 0.78 TSHR (0.52) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL198507 0.78 TSHR (0.52) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7039581 0.78 TSHR (0.52) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL28153074 0.76 TRPA1 (0.39) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL909548 0.76 TRPA1 (0.50) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL24589993 0.76 HTR6 (0.56) HTR6CHRM2CHRM1ALDH1A1MAPT

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-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed