SCHEMBL3367691

SCHEMBL3367691

Cc1c(C#N)cnc(-c2nc(CC(=O)NCCCN3CCOCC3)cs2)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 11/20 0.66
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ IDE P14735 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL3370726 0.85 EGLN1 (0.65) EGLN1
SCHEMBL3367733 0.79 EGLN1 (0.67) EGLN1MAPK1
SCHEMBL3369812 0.78 EGLN1 (0.69) EGLN1
SCHEMBL3368764 0.78 EGLN1 (0.69) EGLN1ALDH1A1GAA
SCHEMBL3367998 0.75 EGLN1 (0.67) EGLN1LMNATSHR
SCHEMBL3371816 0.74 EGLN1 (0.72) EGLN1ALDH1A1KDM4EHPGDMEN1
SCHEMBL3368851 0.71 EGLN1 (0.68) EGLN1
SCHEMBL3369826 0.71 EGLN1 (0.70) EGLN1
SCHEMBL3370748 0.70 EGLN1 (0.69) EGLN1
SCHEMBL3367984 0.69 EGLN1 (0.67) EGLN1ALDH1A1KDM4EHPGDLMNA

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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