SCHEMBL3370079

SCHEMBL3370079

Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 11/20 1.00
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTGFR P43088 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL3368413 0.91 EGLN1 (1.00) EGLN1KMT2AMAPTMAPK1MEN1
SCHEMBL3371515 0.85 EGLN1 (1.00) EGLN1KMT2AMAPTMAPK1
SCHEMBL3370372 0.83 EGLN1 (1.00) EGLN1MAPK1
SCHEMBL3367974 0.78 EGLN1 (1.00) EGLN1MAPK1TDP1
SCHEMBL3371813 0.75 EGLN1 (1.00) EGLN1
SCHEMBL3368683 0.73 EGLN1 (1.00) EGLN1KMT2ACYP3A4MEN1ALDH1A1
SCHEMBL3371816 0.72 EGLN1 (0.72) EGLN1KMT2AMEN1ALDH1A1
SCHEMBL3371351 0.71 EGLN1 (1.00) EGLN1
SCHEMBL3367984 0.70 EGLN1 (0.67) EGLN1KMT2AMEN1ALDH1A1POLB
SCHEMBL3366472 0.69 EGLN1 (0.72) EGLN1POLBTDP1

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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