SCHEMBL3351499

SCHEMBL3351499

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
ACLY P53396 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CYP2C9 P11712 2/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3344715 0.89 PTGDR2 (0.44) CYP2C9ALDH1A1PTGDR2MAPTRORC
SCHEMBL3348700 0.89 ALDH1A1 (0.41) CNR1CYP2C9HPGDALDH1A1POLB
SCHEMBL3346117 0.84 DDB1 (0.41) CNR1ACLYCYP2C9HPGDALDH1A1
SCHEMBL3345079 0.80 ALDH1A1 (0.42) HPGDALDH1A1KDM4EHSD17B10PTGDR2
SCHEMBL3345068 0.79 CYP2C9 (0.41) CYP2C9ALDH1A1KDM4EMAPTCYP2C19
SCHEMBL3344676 0.77 TDP1 (0.44) HPGDALDH1A1KDM4EHSD17B10MAPT
SCHEMBL3348099 0.72 HPGD (0.41) CNR1CYP2C9HPGDALDH1A1POLB
SCHEMBL2570439 0.72 ALDH1A1 (0.35) CNR1CYP2C9HPGDALDH1A1POLB
SCHEMBL2576023 0.72 HPGD (0.35) ACLYCYP2C9HPGDALDH1A1POLB
SCHEMBL3345539 0.71 ALDH1A1 (0.46) HPGDALDH1A1KDM4EHSD17B10PTGDR2

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