SCHEMBL3344730

SCHEMBL3344730

Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2cccc(O)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC2A1 P11166 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
NR3C1 P04150 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3349053 0.84 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL3345123 0.82 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL3345068 0.81 CYP2C9 (0.41) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL3779299 0.80 DAO (0.40) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL3344884 0.79 SLC2A1 (0.39) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL14246830 0.76 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL3349059 0.76 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL3346117 0.76 DDB1 (0.41) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL3345122 0.73 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2ASLC2A1
SCHEMBL6584194 0.73 ALDH1A1 (0.58) ALDH1A1MEN1MAPTKMT2AKDM4E

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed