SCHEMBL23918341

SCHEMBL23918341

Cc1ccc(OC(=O)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.68
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
PLA2G4B P0C869 1/20 0.59
PKM P14618 1/20 0.58
PARP10 Q53GL7 1/20 0.56
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
MAOA P21397 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
HGFAC Q04756 1/20 0.52

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
SCHEMBL2597339 0.88 KMT2A (0.72) MAOBKMT2AMEN1PKMALDH1A1
SCHEMBL12353112 0.88 MAOB (0.71) MAOBKMT2AMEN1PARP10ALDH1A1
SCHEMBL5696807 0.88 KMT2A (0.72) MAOBKMT2AMEN1PKMALDH1A1
SCHEMBL23084938 0.88 MAOB (0.71) MAOBKMT2AMEN1PARP10ALDH1A1
SCHEMBL295497 0.88 KMT2A (0.72) MAOBKMT2AMEN1PKMALDH1A1
SCHEMBL12353119 0.88 MAOB (0.71) MAOBKMT2AMEN1PARP10ALDH1A1
SCHEMBL25500912 0.88 MAOB (0.71) MAOBKMT2AMEN1PARP10ALDH1A1
SCHEMBL29151254 0.87 MAOB (0.68) MAOBKMT2AMEN1PLA2G4BPARP10
SCHEMBL5597361 0.87 MAOB (0.68) MAOBKMT2AMEN1PLA2G4BPARP10
SCHEMBL15282195 0.84 MAOB (0.75) MAOBKMT2AMEN1PLA2G4BMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210318231-A1 Liquid Crystal-Based Detection of Air Contaminants Using Metal Surfaces NATIONAL SCIENCE FOUNDATION 2021-10-14 US disclosed