SCHEMBL10694424

SCHEMBL10694424

Nc1nc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.63
EPHX2 P34913 1/20 0.63
RAB9A P51151 4/20 0.55
CYP3A4 P08684 4/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
SLC6A2 P23975 1/20 0.55
BLM P54132 1/20 0.55

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
SCHEMBL10610756 0.86 TDP1 (0.52) SCN4AEPHX2SMN1; SMN2SCN9AMAPT
SCHEMBL21186391 0.84 AXL (0.60) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL9722834 0.84 RAB9A (0.58) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL30451659 0.83 SCN4A (0.70) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL18004108 0.83 SCN4A (0.70) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL10695695 0.81 SCN4A (0.53) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL11109859 0.80 RAB9A (0.68) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL1417399 0.79 SCN4A (1.00) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL23719773 0.79 SCN4A (0.49) SCN4AEPHX2RAB9ACYP3A4NPC1
SCHEMBL31683934 0.79 SCN4A (0.49) SCN4AEPHX2RAB9ACYP3A4NPC1

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
EP-0261459-A2 N-benzothiazolyl amides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-30 EP disclosed