SCHEMBL11240471

SCHEMBL11240471

CSc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ DRD2 P14416 1/20 0.71
▸ PTGES O14684 8/20 0.68
▸ ALOX5 P09917 7/20 0.68
▸ MAPT P10636 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ KMT2A Q03164 5/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AGTR1 P30556 2/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL10407060 0.87 KDM4E (1.00) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL11160288 0.86 KDM4E (0.82) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL11158740 0.83 KDM4E (0.82) KDM4EALDH1A1DRD2PTGESALOX5
Lonazolac SCHEMBL25221 0.83 KDM4E (1.00) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL11159845 0.83 KDM4E (0.82) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL11251957 0.82 KDM4E (0.76) KDM4EALDH1A1DRD2PTGESALOX5
Lonazolac SCHEMBL1478078 0.82 KDM4E (0.97) KDM4EALDH1A1DRD2PTGESALOX5
Lonazolac SCHEMBL287156 0.82 KDM4E (0.97) KDM4EALDH1A1DRD2PTGESALOX5
SCHEMBL23928648 0.81 L3MBTL1 (0.68) KDM4EALDH1A1MAPTUSP2HPGD
SCHEMBL11540126 0.80 MAPT (0.53) KDM4EALDH1A1DRD2PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 — — US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 — — US disclosed
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