SCHEMBL3369914

SCHEMBL3369914

N#Cc1cnc(-c2ncc(CC(=O)NCc3ccccc3)c(=O)[nH]2)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 13/20 0.71
▸ ERCC1 P07992 2/20 0.44
▸ ERCC4 Q92889 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HSD17B2 P37059 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
SCHEMBL3371680 0.92 EGLN1 (0.67) EGLN1ERCC1ERCC4HPGDCA1
SCHEMBL3366064 0.91 EGLN1 (0.63) EGLN1ERCC1ERCC4ALDH1A1GAA
SCHEMBL3368045 0.90 EGLN1 (0.65) EGLN1GAAHPGD
SCHEMBL3368645 0.88 EGLN1 (0.67) EGLN1ERCC1ERCC4
SCHEMBL3366469 0.87 EGLN1 (0.72) EGLN1
SCHEMBL3367971 0.87 EGLN1 (0.78) EGLN1
SCHEMBL3368761 0.85 EGLN1 (0.60) EGLN1ERCC1ERCC4
SCHEMBL3367694 0.84 EGLN1 (0.63) EGLN1ALDH1A1
SCHEMBL3371453 0.83 EGLN1 (0.68) EGLN1KDM4EALDH1A1HPGDCA1
SCHEMBL3366533 0.82 EGLN1 (0.57) EGLN1POLB

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
Send feedback