SCHEMBL31534712

SCHEMBL31534712

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.35
▸ DDR1 Q08345 4/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.34
▸ RORC P51449 4/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ACSS2 Q9NR19 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BCL2A1 Q16548 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ QRFPR Q96P65 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
SCHEMBL17967743 1.00 DHODH (0.35) DHODHDDR1EGLN1RORCCNR2
SCHEMBL31534710 0.90 DDR1 (0.35) DDR1RORCCNR2MAPTHPGD
SCHEMBL17967742 0.90 DDR1 (0.35) DDR1RORCCNR2MAPTHPGD
SCHEMBL31534708 0.90 DDR1 (0.39) DDR1RORC
SCHEMBL18013098 0.90 DDR1 (0.39) DDR1RORC
SCHEMBL31534706 0.87 RORC (0.33) DDR1RORCCNR2KCNH2
SCHEMBL18013099 0.87 RORC (0.33) DDR1RORCCNR2KCNH2
SCHEMBL19767670 0.87 PTGER4 (0.32) EGLN1RORCACSS2RAB9ANPC1
SCHEMBL18013264 0.86 CNR2 (0.35) DDR1RORCCNR2ACSS2KCNH2
SCHEMBL17967726 0.86 CNR2 (0.35) DDR1RORCCNR2KCNH2RAB9A

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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