SCHEMBL21139466

SCHEMBL21139466

CNc1ccc(C2(c3ccc(C)cc3)c3cc(Br)ccc3-c3sc4c5c(sc4c32)-c2ccc(Br)cc2C5(c2ccc(C)cc2)c2ccc(NC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APP P05067 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
SCHEMBL17301053 0.91 ALDH1A1 (0.33)
SCHEMBL20043831 0.83 ALDH1A1 (0.35)
SCHEMBL24040368 0.81 ALDH1A1 (0.30)
SCHEMBL21211606 0.79 ALDH1A1 (0.39)
SCHEMBL17301056 0.78 PDE4D (0.38) APP
SCHEMBL21005872 0.73 ALDH1A1 (0.33)
SCHEMBL13567251 0.73 ALDH1A1 (0.44) APP
SCHEMBL23082566 0.73 CYP2A6 (0.39)
SCHEMBL17244795 0.73
SCHEMBL17244789 0.73

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-3060622-B1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed