SCHEMBL28210484

SCHEMBL28210484

O=CNc1ccc2cocc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.34
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 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
SCHEMBL27689981 0.83 ALDH1A1 (0.50) ALDH1A1LMNACCNE2CDK4CCND1
SCHEMBL193825 0.75 ALDH1A1 (0.54) ALDH1A1LMNA
SCHEMBL5315761 0.73 ALDH1A1 (0.52) ALDH1A1LMNA
SCHEMBL28870757 0.73 ALDH1A1 (0.52) ALDH1A1LMNA
SCHEMBL28305711 0.73 ALDH1A1 (0.52) ALDH1A1LMNA
SCHEMBL12600191 0.72 ALDH1A1 (0.45) ALDH1A1LMNA
SCHEMBL12175387 0.72 ALDH1A1 (0.45) ALDH1A1LMNACCNE2CDK4CCND1
SCHEMBL17430186 0.72 CYP2A6 (0.45) ALDH1A1LMNA
SCHEMBL15676841 0.72 ALDH1A1 (0.40) ALDH1A1LMNACCNE2CDK4CCND1
Hydrochloric Acid SCHEMBL27301426 0.72 ALDH1A1 (0.50) ALDH1A1LMNA

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
CN-107949597-A POLYAMIC ACID SOLUTION COMPOSITION AND POLYIMIDE FILM 宇部兴产株式会社 2018-04-20 CN disclosed