SCHEMBL20408062

SCHEMBL20408062

C/C=C\C(=C/C(C)(C)C)N(c1ccccc1)c1ccc(C(C)(C)C)cc1N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL20052468 0.71 CYP2D6 (0.39) MEN1ALDH1A1MAPTKMT2ACYP2D6
SCHEMBL19832806 0.69 SIGMAR1 (0.40) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL21653369 0.68 NPSR1 (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL18809761 0.66 ALDH1A1 (0.47) MEN1ALDH1A1GAAMAPTPKM
SCHEMBL22600656 0.65 ALDH1A1 (0.38) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL19251522 0.65 ALDH1A1 (0.44) MEN1ALDH1A1GAAMAPTPKM
SCHEMBL20778583 0.63 TRPM8 (0.33) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL21105245 0.62 ALDH1A1 (0.41) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL26077682 0.62 ALDH1A1 (0.41) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL19311819 0.62 ALDH1A1 (0.41) MEN1ALDH1A1GAAMAPTKMT2A

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-3352185-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM Corporation (JP) 2018-07-25 — — EP disclosed
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