SCHEMBL8570282

SCHEMBL8570282

Cc1ccc(N=O)c(O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 2/20 0.37
RECQL P46063 1/20 0.37
TRPA1 O75762 3/20 0.34
ATM Q13315 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NQO1 P15559 1/20 0.33
HSP90AA1 P07900 3/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
PAX8 Q06710 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
XBP1 P17861 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
SCHEMBL9296302 0.82 RPS6KA3 (0.42) NPSR1TDP1TRPA1ATMALDH1A1
SCHEMBL13094307 0.82 ALDH1A1 (0.39) NPSR1TDP1POLBTRPA1ATM
SCHEMBL3087121 0.77 ALDH1A1 (0.39) NPSR1TDP1ALDH1A1HSP90AA1MAPT
SCHEMBL11230056 0.74 HSP90AA1 (0.33) ATMHSP90AA1TDP2NSD2PAX8
SCHEMBL9394305 0.73 POLB (0.39) TDP1POLBALDH1A1HSP90AA1TDP2
SCHEMBL3278119 0.73 ALDH1A1 (0.56) POLBRECQLTRPA1ATMALDH1A1
SCHEMBL8911585 0.72 THRB (0.34) ALDH1A1MAPTNPC1RAB9ACYP3A4
SCHEMBL23915 0.72 ALDH1A1 (0.53) NPSR1TDP1POLBRECQLTRPA1
SCHEMBL29407125 0.72 ALDH1A1 (0.53) NPSR1TDP1POLBRECQLTRPA1
SCHEMBL15485256 0.72 ALDH1A1 (0.53) NPSR1TDP1POLBRECQLTRPA1

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
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 WO claimed
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 WO disclosed