SCHEMBL3721797

SCHEMBL3721797

NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(Cc3ccccc3Cl)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
SCN9A Q15858 9/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3717692 0.90 KDM4E (0.55) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3717909 0.87 KDM4E (0.49) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3727012 0.85 PARP1 (0.51) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3721798 0.84 ALDH1A1 (0.45) KDM4EHTTALDH1A1GAAHPGD
SCHEMBL3717027 0.84 KDM4E (0.52) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3797911 0.83 KDM4E (0.56) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3717048 0.81 KDM4E (0.52) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3721070 0.80 KDM4E (0.53) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3720809 0.80 LMNA (0.54) KDM4EHTTGLAALDH1A1HSD17B10
SCHEMBL3724662 0.79 KDM4E (0.73) KDM4EHTTGLAALDH1A1HSD17B10

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 4 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
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