SCHEMBL2009342

SCHEMBL2009342

CCCCCc1cnccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TYR P14679 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL5400615 0.82 TDP1 (0.53) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL23768500 0.81 TDP1 (0.52) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL27425453 0.81 TDP1 (0.52) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL10598588 0.81 TDP1 (0.52) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL19185221 0.79 TDP1 (0.50) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL25774612 0.79 TYR (0.52) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL26076115 0.78
SCHEMBL29807285 0.78
SCHEMBL10435113 0.78 TDP1 (0.49) TDP1L3MBTL1TYRTP53CYP3A4
SCHEMBL6665014 0.78 TDP1 (0.49) TDP1L3MBTL1MEN1MAPTKMT2A

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
WO-2011070152-A2 NOVEL ANTIVIRAL COMPOUNDS, WHICH ARE ARYL 3-DEAZAURIDINE ANALOGUES AT C3 POSITION UNIVERSITE DE BORDEAUX 1 (FR) 2011-06-16 WO disclosed