SCHEMBL6681041

SCHEMBL6681041

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)c(C(C)(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
C5AR1 P21730 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD1 P17405 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SYK P43405 1/20 0.34
HPGD P15428 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34

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
SCHEMBL6680479 0.85 CYP2C9 (0.39) CYP2C9PTGER1LMNAMEN1KMT2A
SCHEMBL6680190 0.83 SYK (0.35) CYP2C9PTGER1KDM4EMEN1MAPT
SCHEMBL6678139 0.81 CYP2C9 (0.40) CYP2C9PTGER1USP2LMNAKDM4E
SCHEMBL6680549 0.78 HDAC8 (0.40) KDM4EMEN1MAPTKMT2AHDAC8
SCHEMBL6675702 0.77 CYP2C9 (0.43) CYP2C9PTGER1USP2LMNAKDM4E
SCHEMBL6681039 0.76 C5AR1 (0.39) CYP2C9PTGER1KDM4EC5AR1MEN1
SCHEMBL6678137 0.74 C5AR1 (0.46) CYP2C9PTGER1LMNAKDM4EC5AR1
SCHEMBL6674836 0.73 KDM4E (0.34) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL6678687 0.72 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDCNR2
SCHEMBL6679124 0.72 NR1H4 (0.44) LMNAKMT2AHDAC1HDAC8HDAC6

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