SCHEMBL8808243

SCHEMBL8808243

COc1ccc2nc(C(=O)O)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 2/20 0.56
HPGDS O60760 7/20 0.54
F2 P00734 1/20 0.52
GLA P06280 1/20 0.52
PDGFRB P09619 2/20 0.52
PDGFRA P16234 2/20 0.52
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
NQO2 P16083 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.44

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
SCHEMBL8806346 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHPGDSF2GLA
SCHEMBL755482 0.79 KDM4E (0.54) ALDH1A1HPGDHSD17B10ALOX15HPGDS
SCHEMBL9319027 0.79 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10ALOX15GLA
SCHEMBL1993328 0.78 KDM4E (0.57) ALDH1A1HPGDHSD17B10HPGDSF2
SCHEMBL9939626 0.77 CHEK1 (0.63) ALDH1A1HPGDSGLAPDGFRBPDGFRA
SCHEMBL13666129 0.77 ALDH1A1 (0.55) ALDH1A1HPGDHPGDSF2GLA
SCHEMBL11088871 0.77 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL13905401 0.76 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10ALOX15GLA
SCHEMBL6084225 0.76 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL1208396 0.76 ALOX15 (0.61) ALDH1A1HPGDHSD17B10ALOX15KDM4E

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed