SCHEMBL21584426

SCHEMBL21584426

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)OCc3c(Cl)cccc3Cl)n2)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ DHPS P49366 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ TSHR P16473 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
SCHEMBL21584385 0.93 MAPT (0.44) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL21584431 0.89 CASP3 (0.40) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL21584335 0.88 MAPT (0.40) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL21584437 0.87 MAPT (0.38) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL21584480 0.87 MAPT (0.46) MAPTALDH1A1KDM4EGAAADORA2A
SCHEMBL679235 0.87 GRM6 (0.37) MAPTALDH1A1KDM4EDHPSLMNA
SCHEMBL21584432 0.87 TDP1 (0.46) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL29443551 0.87 TDP1 (0.46) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL21584500 0.86 HTT (0.37) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL21584435 0.86 MAPT (0.37) MAPTALDH1A1KDM4EKMT2ADHPS

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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