SCHEMBL3371453

SCHEMBL3371453

CCCCNC(=O)Cc1cnc(-c2ncc(C#N)cc2O)[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 12/20 0.68
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL3368045 0.86 EGLN1 (0.65) EGLN1HPGDTRPV1
SCHEMBL3367971 0.85 EGLN1 (0.78) EGLN1
SCHEMBL3371680 0.84 EGLN1 (0.67) EGLN1CA1CA2HPGD
SCHEMBL3368307 0.83 EGLN1 (0.58) EGLN1KDM4EALDH1A1HSD17B10
SCHEMBL3369914 0.83 EGLN1 (0.71) EGLN1KDM4EALDH1A1CA1CA2
SCHEMBL3367694 0.82 EGLN1 (0.63) EGLN1ALDH1A1
SCHEMBL3368761 0.81 EGLN1 (0.60) EGLN1MAPTIRAK4
SCHEMBL3370116 0.81 EGLN1 (0.72) EGLN1
SCHEMBL3368645 0.80 EGLN1 (0.67) EGLN1
SCHEMBL3366064 0.80 EGLN1 (0.63) EGLN1ALDH1A1MAPT

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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