SCHEMBL6256148

SCHEMBL6256148

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CACNA1B Q00975 1/20 0.38
PDE9A O76083 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
POLB P06746 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NPBWR1 P48145 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL6260924 0.88 MEN1 (0.43) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6254631 0.82 CASP3 (0.46) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6258737 0.81 PTGIR (0.47) PSMB5KDM4EALDH1A1HPGDNPBWR1
SCHEMBL6260233 0.80 GRM2 (0.47) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6256484 0.80 KDM4E (0.43) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6259201 0.79 KDM4E (0.43) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6254976 0.77 KDM4E (0.41) PSMB1PSMB5KDM4EALDH1A1HPGD
SCHEMBL6254981 0.77 KDM4E (0.48) MEN1KMT2APSMB1PSMB5KDM4E
SCHEMBL6257629 0.77 POLB (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7730189 0.74 MEN1 (0.44) MEN1KMT2APSMB1PSMB5KDM4E

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