SCHEMBL3467313

SCHEMBL3467313

COc1cc(S(=O)(=O)O)sc1C.Cc1ccc(-c2ccc(C#N)cn2)cc1N

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KATNA1 O75449 1/20 0.35
KDM1A O60341 2/20 0.35
CTSA P10619 2/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIT P10721 1/20 0.34
CYP11B1 P15538 1/20 0.33
CHEK1 O14757 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
PRKDC P78527 1/20 0.32
ABL1 P00519 1/20 0.32
FLT3 P36888 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL3467309 0.88 SYK (0.36) KDM1ACTSAHPGDKDM4EALDH1A1
SCHEMBL2117509 0.80 ACLY (0.42) KDM4EALDH1A1FLT1FLT4KDR
SCHEMBL3467724 0.78 CYP11B1 (0.47) KDM1AHPGDKDM4EALDH1A1HTT
SCHEMBL3467338 0.75 CTSA (0.38) CTSAALDH1A1L3MBTL1PRKDC
SCHEMBL3467342 0.74 ACLY (0.45) CTSAFLT1FLT4KDR
SCHEMBL3466612 0.69 CA2 (0.36) ALDH1A1HTT
SCHEMBL2117577 0.68 MAPT (0.45) KDM4EALDH1A1
SCHEMBL3467721 0.66 CASP1 (0.49) KDM1AHPGDKDM4EALDH1A1HTT
SCHEMBL2118158 0.66 ACLY (0.55)
SCHEMBL3466792 0.66 CYP11B1 (0.49) KATNA1KDM1AKITCYP11B1ABL1

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-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed