SCHEMBL14610271

SCHEMBL14610271

Nc1ccc(CCc2ccc(S(=O)(=O)Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.58
RECQL P46063 1/20 0.52
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 4/20 0.49
CA6 P23280 4/20 0.49
CA5A P35218 4/20 0.49
CA7 P43166 4/20 0.49
CA5B Q9Y2D0 4/20 0.49
CA4 P22748 3/20 0.48
TSHR P16473 4/20 0.48
HTR6 P50406 2/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL11582128 0.89 ALDH1A1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL759946 0.87 TSHR (0.62) CA12CA1CA2CA9CA14
SCHEMBL852835 0.85 CA2 (0.67) MAOBCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2235344 0.84 TSHR (0.59) CA12CA1CA2CA9CA14
Fluoride SCHEMBL27875099 0.83 CA12 (0.64) MAOBCA12CA1CA2CA9
SCHEMBL11583152 0.81 ALDH1A1 (0.62) MAOAMAOBCA12CA1CA2
SCHEMBL7142643 0.79 GFER (0.58) GFERRECQLMAOAMAOBCA12
SCHEMBL27609957 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9CA14
Sulfuric Acid SCHEMBL8642565 0.78 GFER (0.70) GFERRECQLMAOAMAOBCA12
SCHEMBL3059014 0.78 RECQL (0.60) RECQLCA12CA1CA2CA9

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-2007012630-A1 CONDUCTIVE OR SEMI-CONDUCTIVE MATERIAL MODIFIED BY ELECTROCHEMICAL GRAFTING OF POLYMER FILMS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-02-01 WO disclosed