SCHEMBL6975993

SCHEMBL6975993

Cn1nc(-c2c(Cl)c[n+]([O-])cc2Cl)nc1-c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.57
NR1H2 P55055 3/20 0.57
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
S1PR2 O95136 1/20 0.41
TDP2 O95551 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 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
SCHEMBL6975297 0.81 NR1H3 (0.61) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL11555265 0.73 NR1H3 (1.00) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL6978022 0.73 NR1H2 (0.42) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL11313402 0.72 NR1H3 (0.74) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL11306835 0.72 NR1H3 (0.74) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL7740503 0.71 NR1H2 (0.49) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL7742632 0.68 SIGMAR1 (0.46) NR1H3NR1H2RAB9ANPC1MEN1
SCHEMBL27217120 0.67 NR1H3 (0.58) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL6972656 0.67 MEN1 (0.47) NR1H3NR1H2RAB9ANPC1SMN1; SMN2
SCHEMBL8942725 0.66 NR1H2 (0.49) NR1H3NR1H2RAB9ANPC1SMN1; SMN2

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