SCHEMBL3228525

SCHEMBL3228525

O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 1.00
DHODH Q02127 2/20 1.00
SMN1; SMN2 Q16637 4/20 0.82
CYP1A2 P05177 1/20 0.82
HIF1A Q16665 1/20 0.82
KDM4E B2RXH2 6/20 0.77
KMT2A Q03164 6/20 0.77
MEN1 O00255 5/20 0.77
GAA P10253 4/20 0.77
ALDH1A1 P00352 4/20 0.77
MAPT P10636 3/20 0.77
HPGD P15428 3/20 0.77
HSD17B10 Q99714 2/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
CASP1 P29466 1/20 0.77
CASP7 P55210 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
POLB P06746 5/20 0.72

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
SCHEMBL3222932 0.92 TP53 (0.86) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL19537433 0.86 TP53 (0.76) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL4243641 0.85 TP53 (0.74) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL4255362 0.84 TP53 (0.72) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL4245179 0.84 TP53 (0.72) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL5151890 0.81 DHODH (0.69) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL5999873 0.80 TP53 (0.67) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL31134142 0.80 TP53 (0.67) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL2467110 0.79 DHODH (1.00) TP53DHODHSMN1; SMN2CYP1A2HIF1A
SCHEMBL29536364 0.79 DHODH (1.00) TP53DHODHSMN1; SMN2CYP1A2HIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO claimed
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed