SCHEMBL7425971

SCHEMBL7425971

COc1ccc(S(=O)(=O)Nc2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.79
CA12 O43570 1/20 0.70
CA9 Q16790 1/20 0.70
ALDH1A1 P00352 4/20 0.70
LMNA P02545 3/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TSHR P16473 2/20 0.70
GAA P10253 2/20 0.68
ALPL P05186 8/20 0.65
SLC22A12 Q96S37 1/20 0.64
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
PKM P14618 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL15212110 0.88 ALPL (0.70) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8752463 0.83 CA12 (1.00) KMT2ACA12CA9ALDH1A1LMNA
SCHEMBL644500 0.79 ALPL (1.00) KMT2AALDH1A1GAAALPL
SCHEMBL13539338 0.79 ALPL (1.00) ALDH1A1GAAALPL
SCHEMBL31371215 0.78 ALPL (1.00) ALDH1A1LMNAGAAALPL
SCHEMBL15211944 0.78 ALPL (1.00) ALDH1A1LMNAGAAALPL
SCHEMBL1404336 0.78 ALPL (1.00) KMT2AALDH1A1GAAALPL
SCHEMBL7425436 0.78 PKM (0.82) KMT2AALDH1A1HTTSMN1; SMN2PKM
SCHEMBL15212129 0.78 ALPL (1.00) ALDH1A1GAAALPL
SCHEMBL15211895 0.77 ALPL (1.00) ALDH1A1GAAALPL

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-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed