SCHEMBL4454452

SCHEMBL4454452

Nc1cccc2c(S(=O)(=O)NCc3c(F)cccc3F)cccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 16/20 0.71
TTR P02766 1/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
FPR2 P25090 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
CSNK1A1 P48729 1/20 0.46
MYLK Q15746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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 SCHEMBL4452891 0.99 NSD2 (0.71) NSD2TTRCYP3A4KDM4ECYP1A2
SCHEMBL4445041 0.86 NSD2 (0.67) NSD2KDM4E
Hydrochloric Acid SCHEMBL4450842 0.85 NSD2 (0.68) NSD2KDM4E
SCHEMBL4445013 0.83 NSD2 (1.00) NSD2CYP3A4KDM4ECYP2D6CYP2C19
SCHEMBL4489080 0.83 NSD2 (0.49) NSD2CYP3A4KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4445433 0.82 NSD2 (1.00) NSD2CYP3A4KDM4ECYP2D6CYP2C19
SCHEMBL4445049 0.81 NSD2 (0.76) NSD2
SCHEMBL4448428 0.81 NSD2 (0.80) NSD2TTR
Hydrochloric Acid SCHEMBL4443383 0.80 NSD2 (0.77) NSD2
SCHEMBL4453024 0.80 NSD2 (0.78) 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