SCHEMBL3721097

SCHEMBL3721097

NC(=O)c1cc(-c2ccccc2F)nc(N2CCN(c3ccccc3F)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
HTT P42858 2/20 0.55
GLA P06280 1/20 0.55
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 2/20 0.47
RPS6KB1 P23443 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 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
SCHEMBL3724502 0.91 KDM4E (0.54) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3726393 0.91 KDM4E (0.51) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3717797 0.91 KDM4E (0.53) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3718588 0.88 KDM4E (0.71) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL1733464 0.88 KDM4E (0.70) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3727039 0.86 KDM4E (0.61) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3721046 0.86 KDM4E (0.58) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3720202 0.86 HTT (0.51) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3721918 0.86 KDM4E (0.50) KDM4EHTTGLAHSD17B10ALDH1A1
SCHEMBL3720267 0.85 KDM4E (0.55) 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