SCHEMBL13623829

SCHEMBL13623829

COCN(c1cc(Cl)cnc1C(=O)c1ccnc(N)c1)S(=O)(=O)c1ccc(C)c(CF)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLKB1 P03952 1/20 0.32
MAP4K1 Q92918 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.30
HTT P42858 2/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL307294 0.88 TRPM8 (0.37) TP53MAPTTHRBSMN1; SMN2KLKB1
SCHEMBL10272262 0.79 S1PR1 (0.34) SMN1; SMN2TRPM8
SCHEMBL307375 0.78 TRPM8 (0.39) TP53MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL307809 0.77 TRPM8 (0.36) TP53MAPTTHRBSMN1; SMN2LMNA
SCHEMBL304906 0.77 TRPM8 (0.38) MAPTALDH1A1LMNATRPM8
SCHEMBL10223038 0.76 TRPM8 (0.36) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL10223024 0.76 TRPM8 (0.39) MAPTALDH1A1LMNATRPM8
SCHEMBL10181751 0.75 TRPM8 (0.38) MAPTALDH1A1LMNATRPM8
SCHEMBL307103 0.74 TRPM8 (0.38) TP53MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL10223034 0.73 TRPM8 (0.38) KDM4ETRPM8

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