SCHEMBL23458501

SCHEMBL23458501

Nc1ncccc1C(=O)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.59
NAPRT Q6XQN6 2/20 0.59
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PRKCQ Q04759 6/20 0.43
PRKCA P17252 2/20 0.43
PRKCD Q05655 2/20 0.43
LTA4H P09960 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4851229 0.87 NAPRT (0.67) PRKCINAPRTKMT2AMEN1PRKCQ
SCHEMBL30114893 0.87 NAPRT (0.67) PRKCINAPRTKMT2AMEN1PRKCQ
SCHEMBL8198020 0.85 NAPRT (0.73) PRKCINAPRTPRKCQPRKCAPRKCD
SCHEMBL30893836 0.83 NAPRT (0.56) PRKCINAPRTKMT2AMEN1MAPT
SCHEMBL3409170 0.83 NAPRT (0.56) PRKCINAPRTGAALMNACDK5
SCHEMBL8319209 0.83 NAPRT (0.56) PRKCINAPRTKMT2AMEN1MAPT
SCHEMBL2679689 0.83 NAPRT (0.56) PRKCINAPRTKMT2AMEN1PRKCQ
SCHEMBL2679986 0.79 KMT2A (0.55) NAPRTKMT2AMEN1GAAMAPT
SCHEMBL23458451 0.79 NAPRT (0.59) PRKCINAPRTKMT2AMEN1LTA4H
SCHEMBL8196094 0.79 LMNA (0.59) KMT2AMEN1LTA4HGAALMNA

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
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed