SCHEMBL21584402

SCHEMBL21584402

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)OCc3ccco3)n2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 5/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL21584335 0.85 MAPT (0.40) TDP1MAPK1ALDH1A1POLBSLC6A2
SCHEMBL21584426 0.85 MAPT (0.43) TDP1ALDH1A1LMNAKDM4EMAPT
SCHEMBL21584469 0.84 MAPT (0.44) TDP1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL21584431 0.84 CASP3 (0.40) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL21584385 0.84 MAPT (0.44) TDP1ALDH1A1LMNAKDM4EMAPT
SCHEMBL679235 0.83 GRM6 (0.37) MAPK1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL21584432 0.83 TDP1 (0.46) TDP1MAPK1ALDH1A1LMNAPOLB
SCHEMBL29443551 0.83 TDP1 (0.46) TDP1MAPK1ALDH1A1LMNAPOLB
SCHEMBL21584435 0.83 MAPT (0.37) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL21584429 0.83 MAPT (0.41) TDP1MAPK1ALDH1A1KDM4EMAPT

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
Send feedback