SCHEMBL4069348

SCHEMBL4069348

Cc1cc2c(c(-c3ccco3)n1)COCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 4/20 0.41
BLM P54132 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 3/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PTPN7 P35236 3/20 0.41
RECQL P46063 3/20 0.41
THRB P10828 2/20 0.41
ALOX12 P18054 2/20 0.41
USP2 O75604 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
SCHEMBL4074599 0.75 KDM4E (0.40) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL12146425 0.66 TDP1 (0.53) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3685471 0.65 ALDH1A1 (0.53) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2114343 0.62 MAPT (1.00) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL7709117 0.61 PDE10A (0.44) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL25510545 0.61 POLB (0.52) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL19153592 0.60 NOS3 (0.35) KDM4EPKM
SCHEMBL21398283 0.60 ADORA3 (0.55) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL20718407 0.59 HSP90AA1 (0.38) POLBLMNA
SCHEMBL3754126 0.59 RAB9A (0.51) ALDH1A1KDM4EMAPTHPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed