SCHEMBL5501068

SCHEMBL5501068

O=C1NC(=O)c2c[nH]cc21.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.59
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 2/20 0.44
THRB P10828 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
CASP7 P55210 2/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
APEX1 P27695 1/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
MTOR P42345 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL30369000 0.81 PARP1 (0.64) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL170580 0.81 PARP1 (0.64) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL28394504 0.78 PARP1 (0.55) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL239945 0.76 GSK3B (0.50) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL57038 0.74 PARP1 (1.00) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL2487811 0.74 PARP1 (1.00) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL29038783 0.73 PARP1 (0.95) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL9681519 0.73 PARP1 (0.95) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL9413391 0.73 PARP1 (0.95) PARP1KMT2AMEN1NPSR1CYP1A2
SCHEMBL29157626 0.73 PARP1 (0.95) PARP1KMT2AMEN1NPSR1CYP1A2

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-1549706-B1 OPAQUE, COLOUR-PIGMENTED COATING CIBA SC HOLDING AG (CH) 2007-01-24 EP claimed