SCHEMBL13178177

SCHEMBL13178177

N=c1cccnn1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ F7 P08709 1/20 0.34
▸ F3 P13726 1/20 0.34
▸ SARM1 Q6SZW1 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ SIRT4 Q9Y6E7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL865731 0.68 — —
SCHEMBL9069105 0.68 — —
SCHEMBL15484371 0.67 KDM4E (0.36) KDM4E
SCHEMBL2345107 0.65 TSHR (0.39) KDM4E
SCHEMBL9410508 0.65 F2 (0.35) PARP1KDM4E
SCHEMBL4076644 0.63 PARP1 (0.54) PARP1KDM4EMKNK1MKNK2
SCHEMBL11128539 0.63 KMT2A (0.35) —
SCHEMBL15484229 0.63 ALDH1A1 (0.33) —
SCHEMBL3173808 0.63 INMT (0.40) PARP1KDM4E
SCHEMBL6605266 0.62 KDM4E (0.36) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 — — EP disclosed
WO-2017121674-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 — — WO disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 — — EP disclosed
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