SCHEMBL18506251

SCHEMBL18506251

CCSc1ccc(-n2cc(Cl)cn2)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EGLN1 Q9GZT9 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
SCHEMBL19725900 0.84 PDE10A (0.35) —
SCHEMBL18506244 0.83 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL31141512 0.83 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL18498642 0.83 CYP11B1 (0.35) ALDH1A1L3MBTL1
SCHEMBL22349480 0.79 CYP3A4 (0.32) L3MBTL1EGLN1
SCHEMBL29720376 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21930788 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18506150 0.78 POLB (0.43) EGLN1
SCHEMBL24067289 0.78 — —
SCHEMBL24045230 0.77 PDE10A (0.35) EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 — — EP disclosed
EP-3331870-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-06-16 — — EP disclosed
WO-2017025419-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 — — WO disclosed
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