SCHEMBL6681999

SCHEMBL6681999

CCNC(=NC(=O)OC(C)(C)C)Nc1ccc(CCNC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.88 PTGER4 (0.41) MAPTMEN1KMT2ACA1CA2
SCHEMBL7248121 0.87 MEN1 (0.41) MEN1KMT2AATMCA1CA2
SCHEMBL6675282 0.87 NAMPT (0.40) MAPTMEN1KMT2ACA1CA2
SCHEMBL6681996 0.83 MAPT (0.46) MAPTMEN1KMT2AATMCA12
SCHEMBL6675304 0.82 MTNR1A (0.41) MAPT
SCHEMBL6676115 0.82 NAMPT (0.53) MAPTKMT2ACA1CA2NAMPT
SCHEMBL6689914 0.80 ALDH1A1 (0.41) MEN1KMT2ANAMPTPOLBALDH1A1
SCHEMBL6675049 0.79 KMT2A (0.55) MAPTMEN1KMT2AATMCA12
SCHEMBL903446 0.77 CA12 (0.64) MAPTMEN1KMT2ACA12CA1
SCHEMBL31432851 0.77 CA12 (0.64) MAPTMEN1KMT2ACA12CA1

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