SCHEMBL6963345

SCHEMBL6963345

Cn1nc(-c2c(Cl)cncc2Cl)nc1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
HTR6 P50406 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ADCY10 Q96PN6 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 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
SCHEMBL6971952 0.89 PIK3CD (0.34) HTR6PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL8345336 0.87 NR1H2 (0.38) NR1H2NR1H3HTR6HDAC6ADCY10
SCHEMBL6975165 0.84 SMN1; SMN2 (0.41) LMNASMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL8345513 0.79 NPC1 (0.37) NR1H2NR1H3HDAC6LMNASMN1; SMN2
SCHEMBL6975297 0.75 NR1H3 (0.61) NR1H2NR1H3LMNASMN1; SMN2CYP1A2
SCHEMBL11296201 0.66 HTR6 (0.41) HTR6ADCY10
SCHEMBL7740503 0.66 NR1H2 (0.49) NR1H2NR1H3LMNASMN1; SMN2GAA
SCHEMBL8343347 0.66 HCRTR1 (0.33) LMNASMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL6972656 0.64 MEN1 (0.47) NR1H2NR1H3PIK3CDLMNASMN1; SMN2
SCHEMBL6967154 0.64 NR1H2 (0.47) NR1H2NR1H3SMN1; SMN2CYP2A6CYP11B1

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 2 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