SCHEMBL30855339

SCHEMBL30855339

NC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 1.00
MKNK2 Q9HBH9 14/20 1.00
CHEK2 O96017 1/20 0.67
F7 P08709 1/20 0.63
F3 P13726 1/20 0.63
SARM1 Q6SZW1 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.63
SIRT6 Q8N6T7 1/20 0.63
SIRT1 Q96EB6 1/20 0.63
SIRT3 Q9NTG7 1/20 0.63
SIRT5 Q9NXA8 1/20 0.63
SIRT4 Q9Y6E7 1/20 0.63
FYN P06241 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2A6 P11509 1/20 0.56
MAP4K4 O95819 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL606654 1.00 MKNK1 (1.00) MKNK1MKNK2CHEK2F7F3
SCHEMBL27521530 0.86 MKNK1 (0.74) MKNK1MKNK2CHEK2F7F3
SCHEMBL27605181 0.85 MKNK1 (0.76) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL4508905 0.84 MKNK1 (0.71) MKNK1MKNK2CHEK2F7F3
SCHEMBL208351 0.83 MKNK1 (1.00) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL29788154 0.83 MKNK1 (1.00) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL28305277 0.83 MKNK1 (0.71) MKNK1MKNK2CHEK2F7F3
SCHEMBL13188346 0.82 MKNK1 (0.77) MKNK1MKNK2CHEK2F7F3
SCHEMBL608617 0.82 KMO (0.73) MKNK1MKNK2CHEK2F7F3
SCHEMBL30108236 0.82 MKNK1 (0.77) MKNK1MKNK2CHEK2F7F3

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-4594294-A1 DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2025-08-06 EP disclosed
WO-2024072930-A1 DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-04-04 WO disclosed