SCHEMBL6254976

SCHEMBL6254976

CNC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn(CC(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
LMNA P02545 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6256484 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6258095 0.87 AURKA (0.49) KDM4ETP53SMN1; SMN2LMNA
SCHEMBL6259201 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6258728 0.86 PIK3CD (0.44) KDM4EALDH1A1HPGDTP53LMNA
SCHEMBL6254981 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6257629 0.84 POLB (0.56) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6256745 0.83 SRC (0.44) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6260118 0.83 PTGIR (0.48) KDM4EALDH1A1HPGDTP53PSMB5
SCHEMBL6256619 0.83 CYP1A2 (0.48) KDM4EALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL6260924 0.80 MEN1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PSMB1

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