SCHEMBL31534710

SCHEMBL31534710

CCS(=O)(=O)c1ccc(C(=O)OC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 4/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RORC P51449 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL17967742 1.00 DDR1 (0.35) DDR1IRAK4MAPTRORCKDM4E
SCHEMBL31534712 0.90 DHODH (0.35) DDR1MAPTRORCCNR2HPGD
SCHEMBL17967743 0.90 DHODH (0.35) DDR1MAPTRORCCNR2HPGD
SCHEMBL31534708 0.89 DDR1 (0.39) DDR1IRAK4RORCSCN9A
SCHEMBL18013098 0.89 DDR1 (0.39) DDR1IRAK4RORCSCN9A
SCHEMBL19767669 0.88 KDM4E (0.34) MAPTRORCKDM4EALOX5AP
SCHEMBL31534706 0.86 RORC (0.33) DDR1RORCCNR2LRRK2
SCHEMBL18013099 0.86 RORC (0.33) DDR1RORCCNR2LRRK2
SCHEMBL19876693 0.85 MAPT (0.37) MAPTKDM4EALDH1A1HPGDSCN9A
SCHEMBL18506249 0.84 DDR1 (0.35) DDR1MAPTRORCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253757-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2025-03-19 — — EP disclosed
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