SCHEMBL6967154

SCHEMBL6967154

Cn1nc(-c2c(Cl)cncc2Cl)nc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
AOC3 Q16853 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
F2 P00734 1/20 0.39
NPY5R Q15761 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL11589724 0.84 NR1H2 (0.61) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL11311344 0.82 NR1H3 (0.71) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL6975297 0.81 NR1H3 (0.61) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL11588467 0.81 NR1H2 (0.72) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL6972656 0.81 MEN1 (0.47) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL7740503 0.80 NR1H2 (0.49) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL11592259 0.80 NR1H2 (0.60) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL6978022 0.78 NR1H2 (0.42) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL11589058 0.77 NR1H2 (0.60) NR1H2NR1H3NPC1RAB9AALDH1A1
SCHEMBL1499978 0.76 NR1H2 (0.46) NR1H2NR1H3NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123287-B1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2003-07-30 EP disclosed
US-6413992-B1 3-(substituted pyridyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2002-07-02 US disclosed
EP-1123287-A1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
WO-2000024735-A1 INSECTICIDAL 1-(SUBSTITUTED PYRIDYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed