SCHEMBL3371431

SCHEMBL3371431

N#Cc1cnc(-c2nc(CC(=O)NCCc3ccncc3)cs2)c(O)c1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 18/20 0.85
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL3369074 0.92 EGLN1 (1.00) EGLN1
SCHEMBL3365834 0.92 EGLN1 (0.86) EGLN1
SCHEMBL3367973 0.91 EGLN1 (0.84) EGLN1
SCHEMBL3367988 0.90 EGLN1 (0.84) EGLN1
SCHEMBL3368423 0.89 EGLN1 (0.82) EGLN1
SCHEMBL3367947 0.88 EGLN1 (0.79) EGLN1CA1CA2CA5ACA7
SCHEMBL3371351 0.86 EGLN1 (1.00) EGLN1
SCHEMBL3369212 0.85 EGLN1 (0.82) EGLN1
SCHEMBL3403512 0.83 EGLN1 (0.72) EGLN1
SCHEMBL3367838 0.83 EGLN1 (0.83) EGLN1

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 — — WO disclosed
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