SCHEMBL3393181

SCHEMBL3393181

Cc1cc(-c2ccco2)nn1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
RECQL P46063 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CTDSP1 Q9GZU7 3/20 0.53
PTGS2 P35354 1/20 0.52
TDP1 Q9NUW8 7/20 0.50
L3MBTL1 Q9Y468 7/20 0.50
POLB P06746 7/20 0.50
PKM P14618 3/20 0.50
MAPT P10636 3/20 0.50
MCL1 Q07820 2/20 0.50
DNMT1 P26358 1/20 0.50
F12 P00748 1/20 0.48
PTGS1 P23219 4/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL13425981 0.81 PTGS2 (0.46) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL12090641 0.76 PTGS2 (0.51) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL3434179 0.73 KDM4E (0.64) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL9423191 0.73 PTGS1 (0.56) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL12528519 0.72 P2RY6 (0.49) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL26847540 0.72 ALDH1A1 (0.49) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL7914483 0.72 ALDH1A1 (0.52) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL26849135 0.71 KDM4E (0.50) KDM4ERECQLMEN1KMT2ACTDSP1
SCHEMBL3433500 0.70 PDE4B (0.48) KDM4EMEN1KMT2APOLBALDH1A1
SCHEMBL26847519 0.70 PTGS2 (0.46) KDM4ERECQLMEN1KMT2ACTDSP1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed