SCHEMBL13624292

SCHEMBL13624292

Bc1ncc(Cl)cc1N(COC)S(=O)(=O)c1ccc(Cl)c(CF)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
VCAM1 P19320 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR2 O43614 3/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
USP2 O75604 1/20 0.31
HCRTR1 O43613 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12347500 0.86 ESR1 (0.36) ALDH1A1MAPTPKMPSEN1PSEN2
SCHEMBL10305645 0.84 POLB (0.43) ALDH1A1MAPTTRPM8L3MBTL1HCRTR2
SCHEMBL1762506 0.80 ALDH1A1 (0.37) ALDH1A1MAPTPKMPSEN1PSEN2
SCHEMBL12347489 0.80 TRPM8 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14303612 0.80 TRPM8 (0.39) ALDH1A1MAPTPKMTRPM8L3MBTL1
SCHEMBL14303174 0.78 PTGDR (0.37) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL12594248 0.76 CCR4 (0.39) ALDH1A1MAPTPKMPSEN1PSEN2
SCHEMBL14303635 0.76 ESR1 (0.37) ALDH1A1MAPTPKMPSEN1PSEN2
SCHEMBL306124 0.74 ESR1 (0.36) ALDH1A1MAPTPKMPSEN1PSEN2
SCHEMBL12161784 0.74 POLB (0.43) ALDH1A1MAPTTRPM8L3MBTL1HCRTR2

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