SCHEMBL17082477

SCHEMBL17082477

N=Cc1ccc(-n2cnc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
MAP4K4 O95819 1/20 0.41
HDAC1 Q13547 3/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
PTGS2 P35354 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR2E1 Q9Y466 1/20 0.35
TOP1 P11387 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL1230233 0.89 TLR2 (0.46) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL2743492 0.83 KIF11 (0.51) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL1259287 0.83 KIF11 (0.51) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL1260302 0.80 KIF11 (0.55) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL1260380 0.77 TLR2 (0.65) NPC1RAB9ATLR2TLR1PTGS2
SCHEMBL29559210 0.76 NPC1 (0.43) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL29559542 0.75 NR2E1 (0.44) NPC1RAB9ANLRP3TLR2TLR1
SCHEMBL1230291 0.73 SCN5A (0.40) NPC1RAB9ANLRP3MAP4K4PSEN1
SCHEMBL10306372 0.73 LMNA (0.40) NPC1RAB9AMAP4K4
SCHEMBL1230313 0.72 MAOA (0.43) NPC1RAB9ANLRP3MAP4K4CA12

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-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 EP disclosed