SCHEMBL7463022

SCHEMBL7463022

O=C1NC(=O)/C(=C/c2ccc(OCCn3nc(-c4ccccc4)c4ccccc4c3=O)cc2)S1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
HPGD P15428 11/20 0.55
PTPN1 P18031 2/20 0.52
POLB P06746 1/20 0.52
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
CISD1 Q9NZ45 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PTGS2 P35354 1/20 0.48

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
SCHEMBL7459750 1.00 MAOA (0.56) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7462410 0.86 PIM1 (0.56) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7462408 0.86 PIM1 (0.56) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7460614 0.86 HPGD (0.55) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7525440 0.86 HPGD (0.55) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7453501 0.85 PIM1 (0.56) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7456859 0.82 PKM (0.52) HRH3
SCHEMBL7467062 0.80 NPC1 (0.64) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7457308 0.80 NPC1 (0.64) MAOAMAOBHPGDPTPN1POLB
SCHEMBL7452282 0.76 PPARG (0.57) HRH3

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-0971917-B1 THIAZOLIDINEDIONE AND OXAZOLIDINEDIONE DERIVATIVES HAVING ANTIDIABETIC, HYPOLIPIDAEMIC AND ANTIHYPERTENSIVE PROPERTIES REDDY RESEARCH FOUNDATION (IN) 2002-02-06 EP claimed