SCHEMBL22925152

SCHEMBL22925152

CN/N=C/c1cccn1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
GAA P10253 2/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1129761 0.79 ALDH1A1 (0.58) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9656930 0.77 KDM4E (0.66) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9656924 0.77 KDM4E (0.66) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5193479 0.75 HTT (1.00) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL5193469 0.75 HTT (1.00) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL9653641 0.75
SCHEMBL4890469 0.75
SCHEMBL4890466 0.75
SCHEMBL4253063 0.73 CA1 (0.59) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4253058 0.73 CA1 (0.59) HTTALDH1A1SMN1; SMN2MEN1KMT2A

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