SCHEMBL4454357

SCHEMBL4454357

CC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccccc3-c3ccc(C)cc3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.46
USP30 Q70CQ3 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR8 P51685 2/20 0.43
KCNA5 P22460 2/20 0.42
NSD2 O96028 2/20 0.41
KMT2A Q03164 2/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MEN1 O00255 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL4449069 0.85 EDNRA (0.51) EDNRAUSP30CCR8NSD2KMT2A
SCHEMBL4443344 0.83 LMNA (0.55) EDNRAUSP30LMNATSHRSMN1; SMN2
SCHEMBL4448161 0.82 NPY5R (0.50) EDNRACCR8KCNA5NSD2KMT2A
SCHEMBL4454360 0.81 NSD2 (0.58) EDNRAKCNA5NSD2KMT2AMEN1
SCHEMBL4622884 0.81 NSD2 (0.52) EDNRACCR8NSD2KMT2A
SCHEMBL4447174 0.81 KDM4E (0.51) EDNRALMNACCR8NSD2KMT2A
SCHEMBL4448268 0.81 MCL1 (0.55) EDNRALMNATSHRCCR8NSD2
SCHEMBL4448820 0.81 EDNRA (0.49) EDNRAUSP30CCR8NSD2KMT2A
Hydrochloric Acid SCHEMBL4453293 0.81 NSD2 (0.59) KCNA5NSD2KMT2AMEN1
SCHEMBL4452477 0.80 MEN1 (0.48) EDNRALMNAKMT2AMEN1

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 3 patents. 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 disclosed
EP-1402890-B1 SULFONAMIDE DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2008-01-09 EP disclosed
EP-1402890-A1 SULFONAMIDE DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2004-03-31 EP disclosed