SCHEMBL6258095

SCHEMBL6258095

COc1ccc(-c2nn(CC(C)C)c(=O)c(C(=O)Nc3ccccc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PIK3CD O00329 1/20 0.45

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
SCHEMBL6258728 0.91 PIK3CD (0.44) AURKATP53THRBRXFP1KDM4E
SCHEMBL6254976 0.87 KDM4E (0.41) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6256484 0.85 KDM4E (0.43) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6259201 0.82 KDM4E (0.43) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6257629 0.82 POLB (0.56) TP53THRBKDM4ESMN1; SMN2
SCHEMBL6254981 0.81 KDM4E (0.48) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6256619 0.77 CYP1A2 (0.48) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6259734 0.76 CYP1A2 (0.47) TP53KDM4ELMNASMN1; SMN2
SCHEMBL6260924 0.76 MEN1 (0.43) THRBRXFP1KDM4ESMN1; SMN2
SCHEMBL6258294 0.74 EDNRB (0.53) TP53KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156039-B1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME KOWA CO (JP) 2005-10-05 EP disclosed
US-6680316-B1 INTERLEUKIN INHIBITORS; AUTOIMMUNE, RHEUMATIC, AND GASTROINTESTINAL DISORDERS; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTIISCHEMIC, AND ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2004-01-20 US disclosed
EP-1156039-A1 PYRIDAZIN-3-ONE DERIVATIVES AND MEDICINES CONTAINING THE SAME Kowa Co., Ltd. (JP) 2001-11-21 EP disclosed