SCHEMBL9379284

SCHEMBL9379284

O=C(O)COc1cc(C(=O)O)nc2cc(F)cc(F)c12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LDHA P00338 1/20 0.36
▸ PTGDR Q13258 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGER2 P43116 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL9379799 0.78 PKM (0.50) PKMPTGDR2ALOX15KDM4EPTGDR
SCHEMBL1611157 0.76 TDP1 (0.49) PTGDR2ALOX15KDM4ETDP1
SCHEMBL29567556 0.76 TDP1 (0.49) PTGDR2ALOX15KDM4ETDP1
SCHEMBL16832441 0.75 ASPH (0.46) ALOX15KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9380227 0.73 TDP1 (0.46) PTGDR2ALOX15KDM4EPTGDRALDH1A1
SCHEMBL9379821 0.72 KMT2A (0.48) PTGDR2ALOX15KDM4EALDH1A1HPGD
SCHEMBL9378807 0.71 ALOX15 (0.66) PKMPTGDR2ALOX15KDM4EALDH1A1
SCHEMBL9379478 0.69 KDM4E (0.46) PKMALOX15KDM4EALDH1A1HPGD
SCHEMBL9380983 0.69 KDM4E (0.53) PKMPTGDR2ALOX15KDM4EALDH1A1
SCHEMBL9379647 0.69 ALOX15 (0.42) PTGDR2ALOX15KDM4EALDH1A1HPGD

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