SCHEMBL6682001

SCHEMBL6682001

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(CCNC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
NAMPT P43490 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
SCHEMBL6676265 0.89 CA2 (0.40) CA1CA2KMT2AALDH1A1MAPT
SCHEMBL6675284 0.88 ESRRG (0.42) CA1CA2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8771747 0.88 CA2 (0.39) CA1CA2MAPTNAMPT
SCHEMBL6676118 0.83 CA2 (0.47) CA1CA2KMT2AMAPTNAMPT
SCHEMBL6675306 0.83 NQO2 (0.38) CA1CA2CA12CA9MAPT
SCHEMBL8771555 0.81 IDO1 (0.39) CA1CA2MAPT
SCHEMBL6675053 0.79 CA1 (0.46) CA1CA2CA12CA9KMT2A
SCHEMBL903446 0.78 CA12 (0.64) CA1CA2CA12CA9KMT2A
SCHEMBL31432851 0.78 CA12 (0.64) CA1CA2CA12CA9KMT2A
SCHEMBL6681999 0.75 MAPT (0.45) CA1CA2CA12CA9KMT2A

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