SCHEMBL9570682

SCHEMBL9570682

O=C1NC(=O)/C(=C\c2ccc(OCCCCCCCOc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)S1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.78
PIM2 Q9P1W9 2/20 0.78
HPGD P15428 11/20 0.76
CISD1 Q9NZ45 3/20 0.75
HRH3 Q9Y5N1 1/20 0.70
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
PTGS2 P35354 1/20 0.68
GPR35 Q9HC97 1/20 0.68

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
SCHEMBL9570687 1.00 PIM1 (0.78) PIM1PIM2HPGDCISD1HRH3
SCHEMBL9570769 0.94 PIM1 (0.71) PIM1PIM2HPGDCISD1HRH3
SCHEMBL9570763 0.94 PIM1 (0.71) PIM1PIM2HPGDCISD1HRH3
SCHEMBL2544390 0.89 PIM1 (0.76) PIM1PIM2HPGDCISD1HRH3
SCHEMBL2544389 0.89 PIM1 (0.76) PIM1PIM2HPGDCISD1HRH3
SCHEMBL9326976 0.88 HPGD (0.80) PIM1PIM2HPGDCISD1MAOA
SCHEMBL9803954 0.88 PIM1 (0.74) PIM1PIM2HPGDCISD1HRH3
SCHEMBL4852574 0.88 PIM1 (0.74) PIM1PIM2HPGDCISD1HRH3
SCHEMBL4852579 0.88 PIM1 (0.74) PIM1PIM2HPGDCISD1HRH3
SCHEMBL2544373 0.88 PIM1 (1.00) PIM1PIM2HPGDCISD1HRH3

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-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed