SCHEMBL6680190

SCHEMBL6680190

CCN(C(N)=NC(=O)OC(C)(C)C)c1cccc(C(C)(C)NC(=O)OC(C)(C)C)c1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
AKT1 P31749 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL6681041 0.83 CYP2C9 (0.36) SYKKDM4EKMT2AMAPTMEN1
SCHEMBL6675988 0.77 HDAC1 (0.43) SYKAKT1KDM4EKMT2AMAPT
SCHEMBL6680187 0.77 BRD4 (0.39) SYKKDM4EKMT2AMAPTPPARA
SCHEMBL6678259 0.74 BRD4 (0.40) SYKKMT2APPARAMEN1AURKA
SCHEMBL6680479 0.74 CYP2C9 (0.39) SYKKMT2AHTTMEN1BCHE
SCHEMBL6680549 0.73 HDAC8 (0.40) KDM4EKMT2AMAPTHTTMEN1
SCHEMBL6677550 0.73 HTR1A (0.47) KMT2AMAPTHTTMEN1
SCHEMBL6680185 0.71 BCHE (0.38) SYKKDM4EKMT2AMAPTPPARA
SCHEMBL28747641 0.70 HDAC1 (0.40) SYKKDM4EKMT2AMAPTPPARA
SCHEMBL6675872 0.69 KCNA5 (0.35) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed