SCHEMBL21584475

SCHEMBL21584475

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)SCc3ccccc3)n2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ DHPS P49366 3/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEP1B Q16820 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CFD P00746 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL21584415 0.87 MEP1B (0.35) ALOX5APFEN1ALDH1A1MEN1KMT2A
SCHEMBL21584335 0.83 MAPT (0.40) ALOX5APFEN1ALDH1A1KMT2ATDP1
SCHEMBL21584471 0.83 ADORA2A (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL678359 0.82 ALDH1A1 (0.41) DHPSDPP4ALDH1A1TDP1MEP1B
SCHEMBL29443526 0.82 ALDH1A1 (0.41) DHPSDPP4ALDH1A1TDP1MEP1B
SCHEMBL679154 0.81 ALDH1A1 (0.40) DHPSDPP4ALDH1A1TDP1MEP1B
Potassium SCHEMBL679156 0.81 ALDH1A1 (0.40) DHPSDPP4ALDH1A1TDP1MEP1B
SCHEMBL12364193 0.80 MEP1B (0.36) ALOX5APFEN1DHPSDPP4ALDH1A1
SCHEMBL22181185 0.80 DHPS (0.38) DHPSDPP4ALDH1A1MAPTHTT
SCHEMBL679753 0.79 KDM4E (0.38) DHPSALDH1A1MEP1BKDM4ETAS1R3

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-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 — — WO disclosed
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