SCHEMBL6675282

SCHEMBL6675282

CCNC(=NC(=O)OC(C)(C)C)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
XBP1 P17861 2/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGER4 P35408 1/20 0.36
IDO1 P14902 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL6676262 0.89 PTGER4 (0.41) NAMPTCA1CA2LMNAHPGD
SCHEMBL7248121 0.88 MEN1 (0.41) NAMPTCA1CA2ALDH1A1PTGER4
SCHEMBL6681999 0.87 MAPT (0.45) NAMPTCA1CA2ALDH1A1MAPT
SCHEMBL6676115 0.83 NAMPT (0.53) NAMPTCA1CA2LMNAKDM4E
SCHEMBL7247586 0.83 CA1 (0.43) NAMPTCA1CA2LMNAKDM4E
SCHEMBL1467824 0.82 NAMPT (0.46) NAMPTCA1CA2LMNAKDM4E
SCHEMBL6687612 0.81 IDO1 (0.43) NAMPTCA1CA2LMNAKDM4E
SCHEMBL6675304 0.79 MTNR1A (0.41) KDM4EMAPTNQO2
SCHEMBL27478754 0.79 NAMPT (0.43) NAMPTCA1CA2LMNAKDM4E
SCHEMBL6680713 0.79 KMT2A (0.44) NAMPTCA1CA2LMNAKDM4E

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed