SCHEMBL7308033

SCHEMBL7308033

COc1cc(C(=O)O)nc(-c2csc(C)n2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 12/20 1.00
▸ GAA P10253 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ MAPT P10636 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ KDM4B O94953 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL7318992 0.88 ECE1 (0.79) ECE1GAARECQLGFERMAPT
SCHEMBL7322148 0.87 ECE1 (0.77) ECE1GPR35KDM4ERAB9AALOX15
SCHEMBL7317687 0.84 ECE1 (1.00) ECE1MAPTKDM4EPOLBHTT
SCHEMBL7323063 0.79 ECE1 (1.00) ECE1GPR35KDM4AKDM4BKDM5C
SCHEMBL7312652 0.78 ECE1 (1.00) ECE1GFERMAPT
SCHEMBL7321910 0.75 ECE1 (0.60) ECE1MAPTKDM4EPOLBRAB9A
SCHEMBL21547855 0.75 GAA (0.63) ECE1GAARECQLGFERMAPT
SCHEMBL4196934 0.75 ECE1 (1.00) ECE1GFERGPR35MAPT
SCHEMBL7321772 0.73 ECE1 (0.82) ECE1MAPTKDM4EPOLBHTT
SCHEMBL786898 0.70 EGFR (0.55) ECE1POLB

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-5891892-A Small molecule biaryl compounds as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1999-04-06 — — US claimed
US-5891892-A Small molecule biaryl compounds as inhibitors of endothelin converting enzyme WARNER-LAMBERT COMPANY (US) 1999-04-06 — — US disclosed
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