SCHEMBL4720247

SCHEMBL4720247

Cc1cc(-c2cnco2)cc(-c2nn(-c3c(Cl)cccc3Cl)c(=O)c3c2CCCN3)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
IMPDH2 P12268 2/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
P2RY1 P47900 1/20 0.30

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
SCHEMBL4722804 0.92
SCHEMBL4719523 0.92 P2RX7 (0.34)
SCHEMBL4722854 0.85 NOTUM (0.32) BACE1BACE2
SCHEMBL4719705 0.84 BACE1 (0.33) BACE1BACE2IMPDH2LMNAPKM
SCHEMBL4721704 0.82 MEN1 (0.34)
SCHEMBL4719487 0.82
SCHEMBL4719544 0.82 CNR1 (0.33) BACE1BACE2
SCHEMBL4722202 0.81 CREBBP (0.36) BACE1BACE2IMPDH2LMNAP2RY1
SCHEMBL4721258 0.81 BACE1 (0.30) BACE1BACE2
SCHEMBL4765691 0.80 CREBBP (0.32) BACE1BACE2IMPDH2

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed