SCHEMBL5483522

SCHEMBL5483522

NCCCC(Cl)Cc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.50
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3104713 0.81 APP (0.55) APPCYP1A2
SCHEMBL10327571 0.76 APP (0.56) APPCYP1A2KDM4EALDH1A1ALPI
SCHEMBL563769 0.75 APP (0.66) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL10167845 0.75 APP (0.68) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL16196000 0.74 APP (0.80) APPCYP1A2
SCHEMBL10208641 0.73 APP (0.64) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL738742 0.72 APP (0.59) APPCYP1A2MAPT
SCHEMBL9537836 0.72 APP (0.59) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL1094100 0.72 APP (0.59) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL6998321 0.72 APP (0.67) APPCYP1A2KDM4EMEN1ALDH1A1

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-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