SCHEMBL17043255

SCHEMBL17043255

Nc1ncc(Br)c(Cl)c1Cl.O=C1CC(Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
BACE1 P56817 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
SCHEMBL15661581 0.74 HTT (0.44)
SCHEMBL23731 0.71
SCHEMBL28193370 0.71 CRBN (0.46) CYP19A1
Ammonia Solution, Strong SCHEMBL27516621 0.69
Chloroform SCHEMBL28126218 0.66 MAP3K14 (0.44) CYP19A1
Methylsulfanylmethane SCHEMBL5796241 0.64 MAP3K14 (0.43) CYP19A1
SCHEMBL18708648 0.62 HTT (0.43)
SCHEMBL503108 0.62 HTT (0.43)
SCHEMBL31569579 0.62 HTT (0.43)
SCHEMBL23773562 0.59 HTT (0.40)

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-2912037-A1 2-AMINOPYRIDINE COMPOUNDS Merck Patent GmbH (DE) 2015-09-02 EP disclosed