SCHEMBL6975165

SCHEMBL6975165

Cn1nc(-c2c(Cl)cncc2Cl)nc1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 2/20 0.37
GALR3 O60755 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
P2RX7 Q99572 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
PPP1CA P62136 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL6963345 0.84 NR1H2 (0.35) SMN1; SMN2LMNACYP3A4CYP1A2CYP2C19
SCHEMBL6971952 0.78 PIK3CD (0.34) HTTMAPTL3MBTL1
SCHEMBL8345336 0.71 NR1H2 (0.38) SMN1; SMN2KMT2ALMNARAB9AMAPT
SCHEMBL6975297 0.71 NR1H3 (0.61) SMN1; SMN2HTTKMT2ALMNACYP1A2
SCHEMBL2097653 0.65 IDO1 (0.65) SMN1; SMN2HTTKMT2ALMNACYP3A4
SCHEMBL8345513 0.64 NPC1 (0.37) SMN1; SMN2HTTKMT2ALMNARAB9A
SCHEMBL27542850 0.64 P2RX7 (0.60) SMN1; SMN2HTTKMT2ALMNACYP3A4
SCHEMBL7740503 0.64 NR1H2 (0.49) SMN1; SMN2HTTKMT2ALMNARAB9A
SCHEMBL9479565 0.63 SMN1; SMN2 (0.50) SMN1; SMN2HTTKMT2ALMNACYP3A4
SCHEMBL13325845 0.62 KMT2A (0.57) SMN1; SMN2HTTKMT2ALMNARAB9A

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