SCHEMBL6256484

SCHEMBL6256484

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE3A Q14432 1/20 0.41
EDNRB P24530 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6259201 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PSMB1
SCHEMBL6254976 0.88 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2PSMB1
SCHEMBL6254981 0.88 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PSMB1
SCHEMBL6257629 0.87 POLB (0.56) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6258095 0.85 AURKA (0.49) KDM4ESMN1; SMN2TP53LMNA
SCHEMBL6258294 0.83 EDNRB (0.53) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6258728 0.82 PIK3CD (0.44) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6260924 0.82 MEN1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PSMB1
SCHEMBL6260226 0.82 SRC (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6258726 0.82 PTGIR (0.53) KDM4EALDH1A1HPGDSMN1; SMN2PSMB5

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