SCHEMBL4757958

SCHEMBL4757958

Nc1ccc2nc3c4c(C(=O)C5CCCN5)cccc4c(=O)cc-3oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 2/20 0.35
NR1I2 O75469 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
CCKAR P32238 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
HTR3A P46098 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL3274805 1.00 ELANE (0.43) ELANEMEN1KMT2ANPC1POLB
SCHEMBL3275812 0.77 MEN1 (0.41) ELANEMEN1KMT2ANPC1POLB
SCHEMBL3274811 0.72 MEN1 (0.46) ELANEMEN1KMT2ANPC1POLB
SCHEMBL3275224 0.71 KMT2A (0.62) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5273545 0.68 ELANE (0.49) ELANEMEN1KMT2AHTR2CCYP1A2
Alanine SCHEMBL3281125 0.66 PTPRA (0.58) ELANEMEN1KMT2ANPC1POLB
Alanine SCHEMBL3282143 0.66 PTPRA (0.58) ELANEMEN1KMT2ANPC1POLB
Alanine SCHEMBL3274115 0.66 PTPRA (0.58) ELANEMEN1KMT2ANPC1POLB
SCHEMBL13338326 0.65 LCK (0.52) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3666115 0.65 RAB9A (0.46) MEN1KMT2ANPC1POLBRAB9A

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
EP-1625117-B1 NOVEL PHENOXAZINONE DERIVATIVES AS ENZYME SUBSTRATES AND USE THEREOF AS INDICTOR IN THE DETECTION OF MICROORGANISMS WITH PEPTIDASE ACTIVITY BIOMERIEUX SA (FR) 2008-01-09 EP disclosed