SCHEMBL11881122

SCHEMBL11881122

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KDR P35968 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
SCHEMBL23181 0.82 MAPK1 (0.55) MAPTMAPK1ALDH1A1KDM4EPOLB
Hydrogen Sulfide SCHEMBL20395887 0.80 MAPK1 (0.53) MAPTMAPK1ALDH1A1KDM4EPOLB
SCHEMBL11318668 0.79 CYP1A2 (0.44) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL14312097 0.78 GAA (0.53) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL11803039 0.77 MAPK1 (0.47) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL14883115 0.77 MAPT (0.47) MAPTMAPK1LMNAL3MBTL1GAA
SCHEMBL14700343 0.77 MAPT (0.47) MAPTMAPK1MEN1KMT2AGAA
SCHEMBL4115128 0.77 MAPT (0.47) MAPTMAPK1LMNAL3MBTL1GAA
SCHEMBL4111687 0.77 MAPK1 (0.47) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL10798317 0.76 MAPK1 (0.50) MAPTMAPK1POLBCDK1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3936523-A CROSSLINKED POLYETHYLENE SIEMENS AKTIENGESELLSCHAFT (DT) 1976-02-03 — — US claimed
US-3936523-A CROSSLINKED POLYETHYLENE SIEMENS AKTIENGESELLSCHAFT (DT) 1976-02-03 — — US disclosed
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