SCHEMBL3366064

SCHEMBL3366064

N#Cc1cnc(-c2ncc(CC(=O)NCc3cccnc3)c(=O)[nH]2)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 6/20 0.63
▸ ERCC1 P07992 2/20 0.48
▸ ERCC4 Q92889 2/20 0.48
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL3368761 0.92 EGLN1 (0.60) EGLN1ERCC1ERCC4MAPTVNN1
SCHEMBL3369914 0.91 EGLN1 (0.71) EGLN1ERCC1ERCC4GAAALDH1A1
SCHEMBL3371680 0.85 EGLN1 (0.67) EGLN1ERCC1ERCC4KMT2A
SCHEMBL3368045 0.83 EGLN1 (0.65) EGLN1GAA
SCHEMBL3367971 0.82 EGLN1 (0.78) EGLN1
SCHEMBL3368645 0.81 EGLN1 (0.67) EGLN1ERCC1ERCC4VNN1
SCHEMBL3367694 0.81 EGLN1 (0.63) EGLN1MEN1KMT2AALDH1A1
SCHEMBL3366469 0.81 EGLN1 (0.72) EGLN1LMNA
SCHEMBL3371453 0.80 EGLN1 (0.68) EGLN1MAPTALDH1A1
SCHEMBL3366533 0.79 EGLN1 (0.57) EGLN1LMNAVNN1MEN1KMT2A

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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