SCHEMBL3721775

SCHEMBL3721775

NC(=O)c1cc(-c2cccc(F)c2)nc(N2CCN(c3ccccc3F)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
HTT P42858 2/20 0.59
GLA P06280 1/20 0.59
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.44
PTPN11 Q06124 3/20 0.44
MEN1 O00255 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
SCHEMBL3721046 0.91 KDM4E (0.58) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3718588 0.91 KDM4E (0.71) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3726351 0.90 KDM4E (0.57) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3727039 0.89 KDM4E (0.61) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3721015 0.88 KDM4E (0.55) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3720239 0.87 KDM4E (0.54) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3720819 0.87 KDM4E (0.57) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL1734249 0.85 KDM4E (0.76) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3717914 0.85 KDM4E (0.54) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3724711 0.85 KDM4E (0.54) KDM4EHTTGLAHSD17B10ALDH1A1

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