SCHEMBL3368323

SCHEMBL3368323

N#Cc1cnc(-c2nc(CC(=O)N3CCCC3(I)C(=O)O)cs2)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 17/20 0.69
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ SHMT1 P34896 1/20 0.30
▸ SHMT2 P34897 1/20 0.30

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
SCHEMBL3369243 0.82 EGLN1 (0.96) EGLN1
SCHEMBL3367930 0.82 EGLN1 (1.00) EGLN1
SCHEMBL3369432 0.81 EGLN1 (0.98) EGLN1
SCHEMBL3368158 0.79 EGLN1 (1.00) EGLN1
SCHEMBL3371387 0.78 EGLN1 (0.83) EGLN1
SCHEMBL3371798 0.78 EGLN1 (0.70) EGLN1
SCHEMBL3371756 0.76 EGLN1 (0.73) EGLN1
SCHEMBL3368311 0.74 EGLN1 (0.68) EGLN1
SCHEMBL3368318 0.74 EGLN1 (0.68) EGLN1
SCHEMBL3368332 0.73 EGLN1 (0.72) 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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