SCHEMBL6654256

SCHEMBL6654256

CN(C)C(Cl)COc1ccc(Cc2nccn2CCCC#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB1 P08588 1/20 0.31

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
SCHEMBL5601407 0.81 MEN1 (0.44) MEN1KMT2A
SCHEMBL5599079 0.70 KMT2A (0.42) MEN1KMT2A
SCHEMBL5600396 0.68 POLB (0.40) MEN1KMT2A
SCHEMBL16061241 0.67 CSNK2A1 (0.42) KMT2A
SCHEMBL6650164 0.67 MAPT (0.38)
SCHEMBL6654254 0.67 TRPM5 (0.37) KMT2A
SCHEMBL27579856 0.66 TAAR1 (0.41)
SCHEMBL2400812 0.66 ALDH1A1 (0.62) KMT2A
SCHEMBL6650639 0.65 POLB (0.39) KMT2A
SCHEMBL6648272 0.65 ALDH1A1 (0.47) KMT2A

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-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed