SCHEMBL3790489

SCHEMBL3790489

CCOC(=O)c1cnc2ccc(C(=O)NC)cc2c1Nc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.71
PAX8 Q06710 1/20 0.67
TP53 P04637 5/20 0.63
GAA P10253 6/20 0.62
HTT P42858 3/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 3/20 0.61
MC4R P32245 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.61
CLK1 P49759 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CREBBP Q92793 1/20 0.58
POLB P06746 1/20 0.58
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.58
THRB P10828 1/20 0.56

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
SCHEMBL4747226 0.93 PAX8 (0.70) MAPTPAX8TP53GAAHTT
SCHEMBL3656790 0.92 PAX8 (0.69) MAPTPAX8TP53GAAHTT
SCHEMBL4747164 0.91 PAX8 (0.80) MAPTPAX8TP53GAAHTT
SCHEMBL4749983 0.91 PAX8 (0.68) MAPTPAX8TP53GAAHTT
SCHEMBL14042929 0.91 PAX8 (0.68) MAPTPAX8TP53GAAHTT
SCHEMBL4749256 0.91 PAX8 (0.68) MAPTPAX8TP53GAAHTT
SCHEMBL3792028 0.90 PAX8 (0.65) MAPTPAX8TP53GAAHTT
SCHEMBL402212 0.90 PAX8 (0.67) MAPTPAX8TP53GAAHTT
SCHEMBL3791913 0.90 PAX8 (0.69) MAPTPAX8TP53GAAHTT
SCHEMBL403648 0.89 PAX8 (0.68) MAPTPAX8TP53GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO claimed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed