SCHEMBL3344715

SCHEMBL3344715

Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c2cc(C(F)(F)F)cc(OCC(=O)O)c12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
RORC P51449 1/20 0.41
PPARD Q03181 4/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 3/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC26A3 P40879 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDE5A O76074 1/20 0.36
PDE9A O76083 1/20 0.36

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
SCHEMBL3351499 0.89 CNR1 (0.37) PTGDR2RORCTSHRCYP2C9MEN1
SCHEMBL3344676 0.87 TDP1 (0.44) PPARDPPARGTSHRTDP1MEN1
SCHEMBL3345068 0.82 CYP2C9 (0.41) CYP2C9MEN1ALDH1A1MAPTKMT2A
SCHEMBL3345079 0.79 ALDH1A1 (0.42) PTGDR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3348700 0.77 ALDH1A1 (0.41) TSHRCYP2C9MEN1ALDH1A1MAPT
SCHEMBL3404915 0.74 PTGS1 (0.38) CYP2C9MEN1ALDH1A1MAPTKMT2A
SCHEMBL3344758 0.72 PTGDR2 (0.51) PTGDR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3346117 0.72 DDB1 (0.41) TSHRTDP1CYP2C9MEN1ALDH1A1
SCHEMBL14317881 0.71 MAPT (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL3345539 0.70 ALDH1A1 (0.46) PTGDR2TSHRMEN1ALDH1A1KMT2A

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