SCHEMBL9684011

SCHEMBL9684011

CCOC(=O)c1occ2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
AHR P35869 1/20 0.52
MAOB P27338 1/20 0.51
CDC25B P30305 2/20 0.50
PLK1 P53350 1/20 0.50
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.44
HCRTR1 O43613 1/20 0.44

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
SCHEMBL7022743 0.82 ALDH1A1 (0.43) KDM4EMAOBCDC25BCDC25ACDC25C
SCHEMBL6593125 0.81 KDM4E (0.49) KDM4ETSHRNPSR1ALDH1A1L3MBTL1
SCHEMBL9121263 0.80 MAOA (0.49) KDM4EMAOBTSHRALDH1A1GAA
SCHEMBL28827648 0.80 ALDH1A1 (0.42) KDM4EAHRMAOBCDC25BTSHR
SCHEMBL11659127 0.79 ADORA2B (0.39)
SCHEMBL7628834 0.79 ALDH1A1 (0.47) KDM4EAHRPLK1TSHRALDH1A1
SCHEMBL8716110 0.79 LMNA (0.47) KDM4EAHRMAOBPLK1ALDH1A1
SCHEMBL27272020 0.78 KMT2A (0.38) KDM4EMAOBTSHRNPSR1ALDH1A1
SCHEMBL10468199 0.78 KMT2A (0.37) KDM4EMAOBTSHRNPSR1ALDH1A1
SCHEMBL1511820 0.78 KDM4E (0.51) KDM4EMAOBTSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 CN disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed