SCHEMBL13623790

SCHEMBL13623790

CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(CF)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.39
CYP2C9 P11712 6/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 4/20 0.39
CCR4 P51679 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CCR5 P51681 1/20 0.39
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL125771 0.85 CYP2C9 (0.49) CCR2CYP2C9CYP3A4
SCHEMBL125394 0.80 CYP2C9 (0.59) CCR2CYP2C9CYP3A4
SCHEMBL13623787 0.79 CYP2C9 (0.41) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL10272290 0.75 CYP3A4 (0.63) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL10272350 0.75 CYP2C9 (0.53) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL127008 0.74 CCR2 (0.61) CCR2CYP2C9CYP3A4
SCHEMBL10272292 0.74 CYP3A4 (0.41) CCR2CYP2C9CYP3A4KMT2AALDH1A1
SCHEMBL12594906 0.71 CCR2 (0.49) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL12594873 0.71 CCR2 (0.45) CCR2CYP2C9CYP3A4CYP2C19CCR4
SCHEMBL12594828 0.70 MEN1 (0.53) CCR2CYP2C9CYP3A4CYP2C19CCR4

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-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed