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Sugi Predict / Compounds / SCHEMBL7957053

SCHEMBL7957053

SCHEMBL7957053

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 16/20 0.39
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL7955043 0.83 CDK1 (0.36) PDE2ACDK1CDK2GSK3BALDH1A1
SCHEMBL6991734 0.82 PDE2A (0.44) PDE2A
SCHEMBL4819964 0.81 PDE2A (0.44) PDE2A
SCHEMBL7958877 0.81 ALDH1A1 (0.41) PDE2AALDH1A1
SCHEMBL4817675 0.80 LMNA (0.39) PDE2ACDK2GSK3BALDH1A1LMNA
SCHEMBL7957301 0.80 PDE2A (0.39) PDE2AALDH1A1LMNA
SCHEMBL7955191 0.79 PDE2A (0.38) PDE2AALDH1A1LMNA
SCHEMBL5236413 0.79 ALDH1A1 (0.40) PDE2AALDH1A1LMNA
SCHEMBL4667797 0.78 GLA (0.39) PDE2AALDH1A1LMNA
SCHEMBL7947670 0.78 MBOAT4 (0.39) PDE2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 — — US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 — — US disclosed