SCHEMBL3722171

SCHEMBL3722171

NCc1cccc(-c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.63
BCL2 P10415 1/20 0.53
CFD P00746 2/20 0.52
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
ABHD6 Q9BV23 1/20 0.49
HDAC1 Q13547 1/20 0.49
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
ERCC5 P28715 1/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL172996 0.88 CFD (0.61) AOC3CFDLOXL2
Terephthalamide SCHEMBL9842226 0.87 PLA2G10 (0.57) AOC3PLA2G10PLA2G2ALOXL2
SCHEMBL1789918 0.87 AOC3 (0.60) AOC3BCL2MKNK1MKNK2ABHD6
SCHEMBL14496864 0.86 BCL2 (0.71) AOC3BCL2CFDHDAC1TAAR1
SCHEMBL15634050 0.85 AOC3 (0.58) AOC3BCL2MKNK1MKNK2ABHD6
Hydrochloric Acid SCHEMBL5548244 0.85 BCL2 (0.69) AOC3BCL2CFDHDAC1TAAR1
SCHEMBL3717108 0.85 MAPT (0.56) AOC3BCL2CFDHDAC1TAAR1
SCHEMBL27352380 0.84 ERN1 (0.54) AOC3CFDHDAC1TAAR1
SCHEMBL3794460 0.81 TAAR1 (0.70) CFDTAAR1LOXL2
SCHEMBL22367342 0.81 MKNK1 (0.64) AOC3MKNK1MKNK2PLA2G10PLA2G2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
CN-107652200-B A method of N- aryl Zhong Fang amide is synthesized using aryl hydrazine 陕西科技大学 2019-06-14 CN disclosed
CN-107652200-A A kind of method that N aryl Zhong Fang acid amides is synthesized using aryl hydrazine 陕西科技大学 2018-02-02 CN disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed