SCHEMBL6807008

SCHEMBL6807008

CNNc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
TGM2 P21980 1/20 0.47
IDO1 P14902 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ATM Q13315 1/20 0.43

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
Hydrochloric Acid SCHEMBL6511659 0.98 ENPP2 (0.46) ENPP2TGM2IDO1KDM4EALDH1A1
SCHEMBL2017578 0.81 CA12 (0.64) ENPP2TGM2ALDH1A1CYP3A4HPGD
SCHEMBL11715148 0.80 LMNA (0.48) IDO1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6810302 0.80 CA2 (0.69) IDO1CA12CA1CA2CA9
SCHEMBL9703269 0.80 ENPP2 (0.47) ENPP2TGM2IDO1KDM4EALDH1A1
SCHEMBL1831690 0.80 ENPP2 (0.46) ENPP2TGM2IDO1KDM4EALDH1A1
SCHEMBL9154755 0.80 KDM4E (0.52) ENPP2TGM2IDO1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28024787 0.79 CA12 (0.61) ENPP2TGM2ALDH1A1CYP3A4HPGD
SCHEMBL28044035 0.79 ENPP2 (0.50) ENPP2TGM2CA12CA1CA2
Hydrochloric Acid SCHEMBL6517799 0.78 CA2 (0.67) IDO1CA12CA1CA2CA9

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
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP claimed