SCHEMBL14756955

SCHEMBL14756955

CC(=O)NCCc1ccc2cc(O)c(O)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MTNR1A P48039 10/20 0.49
▸ MTNR1B P49286 10/20 0.49
▸ F13A1 P00488 1/20 0.45
▸ PTGS2 P35354 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ NQO2 P16083 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ TNNI3 P19429 1/20 0.41
▸ TNNT2 P45379 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
SCHEMBL15985340 0.83 MAPT (0.46) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL15981456 0.79 ADRB2 (0.39) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL19385987 0.78 HTT (0.55) ALDH1A1HPGDMTNR1AMTNR1BHTT
SCHEMBL29858122 0.78 HTT (0.55) ALDH1A1HPGDMTNR1AMTNR1BHTT
SCHEMBL14757171 0.77 KDM4E (0.47) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL14757173 0.76 KDM4E (0.49) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL14756946 0.75 KDM4E (0.73) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL15981455 0.74 RECQL (0.41) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL14757023 0.74 KDM4E (0.54) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL19049449 0.70 KDM4E (0.49) KDM4EMAPTHSD17B10ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 — — WO disclosed
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