SCHEMBL12561820

SCHEMBL12561820

C=C(N)N(CN)C(=O)C(N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ SLC6A3 Q01959 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ BCAT2 O15382 1/20 0.36

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
SCHEMBL12522057 0.78 GABBR2 (0.43) GABBR2GABBR1CYP2D6CYP1A2PKM
SCHEMBL22992328 0.70 AOC3 (0.45) SMN1; SMN2ALOX5LMNAGAATAAR1
SCHEMBL13688832 0.70 ALOX5 (0.44) CYP2D6SMN1; SMN2ALOX5LMNAGAA
SCHEMBL1206430 0.70 ALOX5 (0.44) CYP2D6SMN1; SMN2ALOX5LMNAGAA
SCHEMBL27701679 0.70 HPGD (0.46) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL4991700 0.69 SMN1; SMN2 (0.57) CYP2D6CYP1A2SMN1; SMN2CYP2C19LMNA
SCHEMBL9019184 0.69 SMN1; SMN2 (0.57) CYP2D6CYP1A2SMN1; SMN2CYP2C19LMNA
SCHEMBL1218849 0.68 EPHX1 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL2332933 0.68 EPHX1 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL3262994 0.68 DPP4 (0.48) LMNAGRM2GRM3HTR2ATAAR1

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-20110130280-A1 THERMOREVERSIBLE RECORDING MEDIUM, AND THERMOREVERSIBLE RECORDING MEMBER RICOH COMPANY, LTD. (JP) 2011-06-02 — — US disclosed
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