SCHEMBL3720249

SCHEMBL3720249

NCc1cc(-c2ccc(Br)cc2)nc(N2CCN(c3ccc(F)cc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 6/20 0.41
IGF1R P08069 1/20 0.41
TSHR P16473 1/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL3725420 0.86 HSD17B10 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3718078 0.83 HRH4 (0.54) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL3720912 0.83 MAPT (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3720247 0.80 SCN9A (0.56) MEN1KMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL3728038 0.79 HRH4 (0.50) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL3727042 0.79 DRD2 (0.47) L3MBTL1ALDH1A1MAPK1HSD17B10TP53
SCHEMBL3719607 0.79 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3717768 0.77 KDM4E (0.57) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL3728861 0.74 MAPT (0.54) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL3726500 0.73 TSHR (0.50) MEN1KMT2AALDH1A1MAPTTSHR

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 2 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 disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed