SCHEMBL4445013

SCHEMBL4445013

Nc1cccc2c(S(=O)(=O)NCc3ccc(F)cc3)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 16/20 1.00
LMNA P02545 1/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50

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 SCHEMBL4445433 0.99 NSD2 (1.00) NSD2LMNACA1CA2CA9
SCHEMBL4450802 0.90 NSD2 (0.82) NSD2CA1CA2CA9
SCHEMBL4448428 0.89 NSD2 (0.80) NSD2LMNA
Hydrochloric Acid SCHEMBL4445018 0.89 NSD2 (0.82) NSD2CA1CA2CA9
SCHEMBL4441197 0.88 NSD2 (1.00) NSD2
SCHEMBL4453024 0.88 NSD2 (0.78) NSD2
Hydrochloric Acid SCHEMBL4444943 0.88 NSD2 (0.81) NSD2
SCHEMBL4454417 0.87 NSD2 (0.78) NSD2
SCHEMBL4443335 0.87 NSD2 (0.78) NSD2
Hydrochloric Acid SCHEMBL4441215 0.87 NSD2 (0.79) 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