SCHEMBL22925028

SCHEMBL22925028

COC(=O)N/N=C/c1ccccc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
POLB P06746 3/20 0.58
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 4/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 3/20 0.52
PTGES O14684 1/20 0.52
PTGS2 P35354 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL15672268 0.88 LMNA (0.67) MAPTPOLBKDM4EKMT2APKM
SCHEMBL14938583 0.83 MAPT (0.56) MAPTPOLBKMT2APKMLMNA
SCHEMBL14938584 0.83 MAPT (0.56) MAPTPOLBKMT2APKMLMNA
SCHEMBL20847077 0.82 CTRC (0.70) MAPTPOLBKDM4EKMT2ALMNA
SCHEMBL15677690 0.82 CTRC (0.70) MAPTPOLBKDM4EKMT2ALMNA
SCHEMBL10356216 0.81 RAB9A (0.74) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL21538104 0.80 KMT2A (0.64) MAPTPOLBKDM4EKMT2ALMNA
SCHEMBL28638805 0.80 MAPT (0.63) MAPTPOLBKDM4EKMT2AALDH1A1
SCHEMBL16182568 0.79 LMNA (0.56) MAPTPOLBKDM4EKMT2APKM
SCHEMBL22925021 0.79 MAPT (0.57) MAPTPOLBKDM4EKMT2APKM

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