SCHEMBL1724752

SCHEMBL1724752

NC1=C2Nc3ccccc3OC2=CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
PARP1 P09874 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2B P41595 2/20 0.32
HTR7 P34969 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31

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
SCHEMBL3138859 0.70 ALOX5 (0.43) ALOX5PARP1MEN1KMT2AMAPT
SCHEMBL9211112 0.68 ALOX5 (0.44) ALOX5PARP1MEN1KMT2AMAPT
SCHEMBL22728150 0.67 ALOX5 (0.52) ALOX5PARP1MEN1KMT2AMAPT
SCHEMBL3289409 0.65 ALOX5 (0.65) ALOX5PARP1MEN1KMT2AMAPT
Phenoxazine SCHEMBL28844098 0.63 ALOX5 (1.00) ALOX5PARP1MEN1KMT2AMAPT
Phenoxazine SCHEMBL7862 0.63 ALOX5 (1.00) ALOX5PARP1MEN1KMT2AMAPT
Phenoxazine SCHEMBL6310178 0.63 ALOX5 (1.00) ALOX5PARP1MEN1KMT2AMAPT
Phenoxazine SCHEMBL29355714 0.63 ALOX5 (1.00) ALOX5PARP1MEN1KMT2AMAPT
SCHEMBL31599584 0.63 ALOX5 (0.70) ALOX5PARP1MEN1KMT2AMAPT
Phenoxazine SCHEMBL25275195 0.61 ALOX5 (0.94) ALOX5PARP1MEN1KMT2AMAPT

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-1786828-B1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX SA (FR) 2012-01-11 EP disclosed
EP-1786828-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2007-05-23 EP disclosed
WO-2006030119-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY bioMérieux (FR) 2006-03-23 WO disclosed