SCHEMBL9378807

SCHEMBL9378807

O=C(O)COc1cc(C(=O)O)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.66
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ACACA Q13085 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ P2RY12 Q9H244 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ MGAM O43451 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL9384536 0.85 ALOX15 (0.62) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL31389285 0.85 ALOX15 (0.70) ALOX15KDM4EALDH1A1HPGDMEN1
SCHEMBL18528819 0.85 ALOX15 (0.70) ALOX15KDM4EALDH1A1HPGDMEN1
SCHEMBL9385188 0.84 ALOX15 (0.61) ALOX15P2RY12
SCHEMBL3332342 0.84 P2RY12 (0.53) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL31389237 0.84 ALOX15 (0.64) ALOX15SMN1; SMN2
SCHEMBL30438115 0.84 ALOX15 (0.64) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL2908552 0.84 ALOX15 (0.64) ALOX15SMN1; SMN2
SCHEMBL9379799 0.83 PKM (0.50) ALOX15KDM4EALDH1A1HPGDTDP1
SCHEMBL9381607 0.83 TDP1 (0.52) ALOX15KDM4ETDP1MAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US claimed
EP-0398283-B1 Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1994-11-02 — — EP disclosed
US-5112821-A Excitatory amino acid antagonists which are certain thienopyridives MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
US-5026700-A Certain quinolines and thienopyridines as excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 — — US disclosed
EP-0398283-A1 Excitatory amino acid antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-22 — — EP disclosed
Send feedback