SCHEMBL439912

SCHEMBL439912

Nc1c(Br)cnc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL440348 0.88 NPC1 (0.44) ALOX5APFEN1NPC1RAB9AGAA
SCHEMBL442249 0.82 NPC1 (0.41) ALOX5APFEN1NPC1RAB9AGAA
SCHEMBL437945 0.80 ACHE (0.47) NPC1RAB9ACYP3A4HPGDSALDH1A1
SCHEMBL437067 0.77 MAOB (0.46) ALOX5APFEN1SCN4AKIF11
SCHEMBL439004 0.74 ACHE (0.43)
SCHEMBL437952 0.74 ACHE (0.45) CYP1A2
SCHEMBL437293 0.71 ACHE (0.43) GAALMNATP53CYP3A4ALOX15
SCHEMBL14331600 0.71 NPC1 (0.44) NPC1RAB9AGAAGMNNUSP2
SCHEMBL437175 0.71 NPC1 (0.44) ALOX5APFEN1NPC1RAB9AGAA
SCHEMBL1034163 0.69 GPR3 (0.44) ALOX5APFEN1NPC1RAB9AGAA

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed