SCHEMBL24001099

SCHEMBL24001099

NC(=O)C[n+]1ccc(-c2ncccn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ADRB2 P07550 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MKNK1 Q9BUB5 3/20 0.32
MKNK2 Q9HBH9 3/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
LIMK1 P53667 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL24001079 0.84 CYP2A6 (0.33) CYP2A6ADRB2MKNK1MKNK2
SCHEMBL20753267 0.81 ALDH1A1 (0.40) CYP2A6KDM4EMEN1ALDH1A1APOBEC3A
SCHEMBL20753533 0.81 CYP2A6 (0.33) CYP2A6MKNK1MKNK2
Hydrochloric Acid SCHEMBL22345329 0.80 ALDH1A1 (0.36) CYP2A6KDM4EMEN1ALDH1A1HPGD
SCHEMBL22345285 0.80 ALDH1A1 (0.36) CYP2A6KDM4EMEN1ALDH1A1HPGD
Bromide SCHEMBL20743531 0.80 ALDH1A1 (0.39) CYP2A6KDM4EMEN1ALDH1A1APOBEC3A
SCHEMBL24001097 0.79 CYP2A6 (0.32) CYP2A6ADRB2
SCHEMBL22345327 0.79 CYP2A6 (0.32) CYP2A6
SCHEMBL28382833 0.79 CYP2A6 (0.36) CYP2A6ADRB2
Hydrochloric Acid SCHEMBL20743429 0.78 CYP2A6 (0.35) CYP2A6KDM4EMEN1ALDH1A1KMT2A

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
EP-3923724-B1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-07-26 EP disclosed
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 EP disclosed