SCHEMBL23976805

SCHEMBL23976805

CC(=O)Nc1ccc(-n2ncnc2C)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KDM4E B2RXH2 5/20 0.48
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
KMT2A Q03164 5/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CRBN Q96SW2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL24083210 0.76 KDM4E (0.41) MAPTKDM4ECCNA2CDK2KMT2A
SCHEMBL14239714 0.75 LMNA (0.50) MAPTKMT2ACYP2C19CYP2C9CYP1A2
SCHEMBL30421055 0.71 NPSR1 (0.55) MAPTKDM4EKMT2ACYP2C19CYP3A4
SCHEMBL1430701 0.71 NPSR1 (0.55) MAPTKDM4EKMT2ACYP2C19CYP3A4
SCHEMBL24645772 0.71 MAPT (0.67) MAPTKDM4EKMT2ACYP2C19CYP3A4
SCHEMBL15061717 0.70 KMT2A (0.50) MAPTKDM4EKMT2ACYP2C19CYP3A4
SCHEMBL7964257 0.69 SMN1; SMN2 (0.54) MAPTKDM4EKMT2ACYP2C19CYP3A4
SCHEMBL1164174 0.69 LMNA (0.43) MAPTKDM4ECCNA2CDK2CYP2C19
SCHEMBL50482 0.69 MAPT (0.69) MAPTKDM4EKMT2ACYP2C19CYP1A2
SCHEMBL23976747 0.68 KDM4E (0.58) KDM4EL3MBTL1ALDH1A1FLT3

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
EP-3904349-A2 N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}HETEROCYCLYL AMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-11-03 EP disclosed