SCHEMBL23901770

SCHEMBL23901770

CCC(=O)Oc1c(Cl)nn(C)c(=O)c1-c1c(CC)ccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPBWR1 P48145 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TNF P01375 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
SCHEMBL26163609 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKDM4ENPBWR1ALDH1A1
SCHEMBL26163608 0.78 ALDH1A1 (0.35) SMN1; SMN2LMNAKDM4EALDH1A1KMT2A
SCHEMBL29761324 0.72 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPBWR1KMT2AMAPT
SCHEMBL29382816 0.72 NPBWR1 (0.41) SMN1; SMN2LMNANPBWR1ALDH1A1KMT2A
SCHEMBL21835495 0.72 NPBWR1 (0.41) SMN1; SMN2LMNANPBWR1ALDH1A1KMT2A
SCHEMBL20522633 0.70 ALDH1A1 (0.41) SMN1; SMN2LMNAKDM4ENPBWR1ALDH1A1
SCHEMBL29058636 0.70 SMN1; SMN2 (0.37) SMN1; SMN2LMNAKDM4ENPBWR1ALDH1A1
SCHEMBL11495787 0.69 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL10440127 0.67 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1KMT2AMAPT
SCHEMBL25202984 0.67 HPGD (0.38) SMN1; SMN2KDM4EKMT2AMAPT

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-2021202787-A1 ATROPISOMERS OF PYRIDAZINONE DERIVATIVES AS HERBICIDES FMC CORPORATION (US) 2021-10-07 — — WO disclosed
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