SCHEMBL13256004

SCHEMBL13256004

COc1c(Cl)ccc(-c2nc(N)c(C(C)=O)c(C=O)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEP1B Q16820 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 0.33
▸ TAS1R2 Q8TE23 2/20 0.33
▸ DHPS P49366 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ DPP4 P27487 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
SCHEMBL13256089 0.85 DHPS (0.36) KDM4EALDH1A1MEP1BHSD17B10DHPS
SCHEMBL21584443 0.84 MEP1B (0.36) KDM4EALDH1A1MEP1BHSD17B10DHPS
SCHEMBL719379 0.82 TAS1R3 (0.38) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL12364193 0.79 MEP1B (0.36) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL12338398 0.79 ALDH1A1 (0.35) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL12338396 0.78 MEP1B (0.35) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL718517 0.77 MEP1B (0.37) KDM4EALDH1A1PKMSMN1; SMN2MEP1B
SCHEMBL12338387 0.77 MEP1B (0.35) KDM4EALDH1A1MEP1BHSD17B10TAS1R3
SCHEMBL12338395 0.76 MEP1B (0.34) KDM4EALDH1A1MEP1BHSD17B10DHPS
SCHEMBL718435 0.76 TAS1R3 (0.37) KDM4EALDH1A1KMT2AMEN1NPC1

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
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 — — WO disclosed
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