SCHEMBL5323732

SCHEMBL5323732

CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(C)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.86
KDM4E B2RXH2 3/20 0.84
ALDH1A1 P00352 2/20 0.84
PKM P14618 1/20 0.84
TP53 P04637 5/20 0.81
PAX8 Q06710 1/20 0.71
MAPT P10636 7/20 0.67
LMNA P02545 2/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
RXFP1 Q9HBX9 1/20 0.66
GAA P10253 2/20 0.63
AURKB Q96GD4 5/20 0.60
AURKA O14965 3/20 0.60
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPK1 P28482 1/20 0.57
MC4R P32245 1/20 0.57
HTT P42858 1/20 0.57
CLK1 P49759 1/20 0.57

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
SCHEMBL5325876 0.96 TP53 (0.81) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL4749262 0.91 TP53 (0.75) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL5329104 0.90 CREBBP (0.82) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL5322774 0.90 CREBBP (0.82) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL5328005 0.90 PAX8 (0.83) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL23493740 0.90 TP53 (1.00) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL31307876 0.90 TP53 (1.00) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL5325640 0.89 PAX8 (0.85) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL5323500 0.89 CREBBP (0.79) CREBBPKDM4EALDH1A1PKMTP53
SCHEMBL23494146 0.89 TP53 (0.88) CREBBPKDM4EALDH1A1PKMTP53

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-2007139496-A1 QUINOLINE DERIVATIVES ACTING AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2007-12-06 WO disclosed