SCHEMBL8968941

SCHEMBL8968941

CCCCCCCNC(=O)Oc1c(Cl)cc2nc3ccccn3c(=N)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8969392 0.88 MAPT (0.43) MAPT
SCHEMBL8969989 0.83 MAPT (0.44) MAPT
SCHEMBL8969245 0.78 MAPT (0.46) MAPT
SCHEMBL8968345 0.78 MAPT (0.46) MAPT
SCHEMBL8969928 0.70 ALDH1A1 (0.40) MAPTKDM4EALDH1A1GAA
SCHEMBL8969448 0.68 ACHE (0.37) MAPTKDM4EALDH1A1GAA
SCHEMBL8968357 0.66 ACHE (0.40)
SCHEMBL8968951 0.65 KDM4E (0.50) MAPTKDM4EALDH1A1GAA
SCHEMBL8968968 0.65 KDM4E (0.53) MAPTKDM4EALDH1A1GAA
SCHEMBL11644289 0.63 MGLL (0.64)

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed