SCHEMBL22925151

SCHEMBL22925151

CN/N=C/c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NOX3 Q9HBY0 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL19493649 1.00 GAA (0.44) GAAKDM4EALDH1A1LMNANPC1
SCHEMBL7669128 0.79 NPC1 (0.40) ALDH1A1NPC1RAB9AHTTNFE2L2
SCHEMBL7669124 0.79 NPC1 (0.40) ALDH1A1NPC1RAB9AHTTNFE2L2
SCHEMBL19449851 0.77 LMNA (0.39) GAAKDM4ELMNANPC1RAB9A
SCHEMBL22925027 0.77 LMNA (0.68) ALDH1A1LMNANPC1RAB9AHTT
SCHEMBL1250674 0.76 DGAT1 (0.39) ALDH1A1NPC1RAB9AHTTNFE2L2
SCHEMBL1250677 0.76 DGAT1 (0.39) ALDH1A1NPC1RAB9AHTTNFE2L2
SCHEMBL16609588 0.75 KDM4E (0.68) GAAKDM4EALDH1A1LMNANPC1
SCHEMBL9355268 0.75 NPC1 (0.40) GAAKDM4EALDH1A1NPC1RAB9A
SCHEMBL9355273 0.75 NPC1 (0.40) GAAKDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed