SCHEMBL11318668

SCHEMBL11318668

C=CCOc1nc(NC(C)Nc2nc(OCC=C)nc(OCC=C)n2)nc(OCC=C)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ SLC22A1 O15245 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 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
SCHEMBL11881122 0.79 MAPT (0.43) CYP1A2MEN1KMT2ACYP2C19MAPT
SCHEMBL23181 0.78 MAPK1 (0.55) MAPTMAPK1
Hydrogen Sulfide SCHEMBL20395887 0.76 MAPK1 (0.53) MAPTMAPK1
SCHEMBL14312097 0.74 GAA (0.53) CYP1A2MEN1KMT2ACYP2C19MAPT
SCHEMBL14883115 0.72 MAPT (0.47) CYP1A2MAPTMAPK1TP53L3MBTL1
SCHEMBL11803039 0.72 MAPK1 (0.47) CYP1A2MEN1KMT2AMAPTMAPK1
SCHEMBL4111687 0.72 MAPK1 (0.47) CYP1A2MEN1KMT2AMAPTMAPK1
SCHEMBL4115128 0.72 MAPT (0.47) CYP1A2MAPTMAPK1TP53L3MBTL1
SCHEMBL14700343 0.72 MAPT (0.47) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL10798317 0.72 MAPK1 (0.50) MAPTMAPK1

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
US-4302233-A PROTECTIVE COATINGS OF CROSSLINKED CARBO- OR HETEROCYCLIC POLYIMIDES SIEMENS AKTIENGESELLSCHAFT (DE) 1981-11-24 — — US disclosed
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