SCHEMBL14366356

SCHEMBL14366356

N#CCc1cccc(C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.57
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.43
ADRB2 P07550 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL3938136 0.86 TRPA1 (0.60) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL14366711 0.86 TRPA1 (0.60) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL3928274 0.83 TRPA1 (0.57) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL3942005 0.80 TRPA1 (0.64) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6176638 0.77 TRPA1 (0.70) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6176643 0.77 TRPA1 (0.70) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178865 0.74 TRPA1 (1.00) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6178870 0.74 TRPA1 (1.00) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL3942322 0.73 TRPA1 (0.47) TRPA1PSEN1PSEN2APH1BNCSTN
SCHEMBL6181650 0.73 TRPA1 (0.80) TRPA1PSEN1PSEN2APH1BNCSTN

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
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed