SCHEMBL6681996

SCHEMBL6681996

CC/N=C(/NC(=O)OC(C)(C)C)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6676258 0.88 CA1 (0.43) MAPTCA1CA2MEN1KMT2A
SCHEMBL7248116 0.87 CA1 (0.43) CA1CA2MEN1KMT2AATM
SCHEMBL7247586 0.87 CA1 (0.43) MAPTCA1CA2MEN1KMT2A
SCHEMBL6681999 0.83 MAPT (0.45) MAPTCA1CA2MEN1KMT2A
SCHEMBL6675303 0.82 NQO2 (0.40) MAPTKMT2AALDH1A1
SCHEMBL6676112 0.82 NAMPT (0.54) CA1CA2KMT2ANAMPT
SCHEMBL6688945 0.81 CYP3A4 (0.46) CA1CA2POLBNAMPT
SCHEMBL6675049 0.80 KMT2A (0.55) MAPTCA1CA2MEN1KMT2A
SCHEMBL7243630 0.80 ALDH1A1 (0.42) CA1CA2MEN1KMT2APOLB
SCHEMBL6681934 0.80 ALDH1A1 (0.42) POLBALDH1A1NAMPT

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