SCHEMBL3344758

SCHEMBL3344758

Cc1cc(CC(=O)O)c2c(C)c(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIM1 P11309 1/20 0.38
PTGS2 P35354 2/20 0.38
ALKBH3 Q96Q83 1/20 0.38
PTGS1 P23219 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL3344656 0.88 TP53 (0.41) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3349053 0.83 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3344676 0.83 TDP1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5327554 0.79 PTGDR2 (0.81) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3348106 0.78 PTGDR2 (0.49) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3780495 0.77 PTGDR2 (0.48) PTGDR2KMT2AKDM4ESMN1; SMN2PTGS2
SCHEMBL3344745 0.77 PTGDR2 (0.48) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3348700 0.77 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3345122 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3404915 0.75 PTGS1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E

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