SCHEMBL6972656

SCHEMBL6972656

Cn1nc(-c2c(Cl)cncc2Cl)nc1-c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
CYP2A6 P11509 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HSD17B2 P37059 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
PIK3CD O00329 1/20 0.35
S1PR2 O95136 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
RAF1 P04049 1/20 0.33

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
SCHEMBL6975297 0.84 NR1H3 (0.61) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL7740503 0.83 NR1H2 (0.49) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6951559 0.81 MEN1 (0.45) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6967154 0.81 NR1H2 (0.47) NR1H2NR1H3NPC1RAB9ACYP2A6
SCHEMBL6947500 0.80 MEN1 (0.52) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL1499978 0.79 NR1H2 (0.46) NR1H2NR1H3NPC1RAB9ACYP2A6
SCHEMBL7742632 0.78 SIGMAR1 (0.46) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL24409819 0.77 MEN1 (0.55) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6951032 0.76 MEN1 (0.43) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6978022 0.73 NR1H2 (0.42) MEN1KMT2ANR1H2NR1H3NPC1

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