SCHEMBL4452473

SCHEMBL4452473

Nc1cccc2c(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3)cccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 16/20 0.71
MCL1 Q07820 1/20 0.47
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
FPR2 P25090 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTOR P42345 1/20 0.47
CSNK1A1 P48729 1/20 0.47
MYLK Q15746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL4446566 0.99 NSD2 (0.71) NSD2MCL1CYP3A4KDM4ECYP1A2
SCHEMBL4446610 0.91 NSD2 (0.73) NSD2MCL1TP53
Hydrochloric Acid SCHEMBL4445435 0.90 NSD2 (0.74) NSD2MCL1TP53
SCHEMBL4454417 0.88 NSD2 (0.78) NSD2MCL1
Hydrochloric Acid SCHEMBL4444954 0.86 NSD2 (0.78) NSD2MCL1
SCHEMBL4444964 0.84 NSD2 (0.68) NSD2CYP3A4KDM4ECYP1A2CYP2D6
SCHEMBL4448428 0.84 NSD2 (0.80) NSD2
Hydrochloric Acid SCHEMBL4455040 0.83 NSD2 (0.69) NSD2CYP3A4KDM4ECYP1A2CYP2D6
SCHEMBL4441197 0.83 NSD2 (1.00) NSD2
Hydrochloric Acid SCHEMBL4444943 0.83 NSD2 (0.81) NSD2

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
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US claimed