SCHEMBL17620147

SCHEMBL17620147

O=C(CI)Nc1ccc(Br)c(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
RAB9A P51151 7/20 0.39
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 6/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MCHR1 Q99705 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17609879 0.85 ALDH1A1 (0.40) TRPA1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL31435328 0.74 LMNA (0.39) TRPA1RAB9ANPC1ALDH1A1MAPK1
SCHEMBL24427690 0.74 LMNA (0.39) TRPA1RAB9ANPC1ALDH1A1MAPK1
SCHEMBL21861632 0.71 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL21724410 0.68 JAK2 (0.40) RAB9ATDP1NPC1ALDH1A1TSHR
SCHEMBL9754090 0.66 SMN1; SMN2 (0.39) RAB9ATDP1NPC1ALDH1A1SMN1; SMN2
SCHEMBL31104116 0.65 NPSR1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19715634 0.64 ENPP1 (0.41) TSHR
SCHEMBL29411821 0.64 ENPP1 (0.41) TSHR
SCHEMBL25037163 0.63 TDP1 (0.36) RAB9ATDP1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044792-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2016-03-24 WO disclosed