SCHEMBL17028824

SCHEMBL17028824

CCN1CCN(Cc2ccn(Cc3ccc(OC)cc3OC)c(=O)c2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ EGLN1 Q9GZT9 4/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ VEGFA P15692 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL17005933 0.89 ALDH1A1 (0.57) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL17005893 0.88 ALDH1A1 (0.60) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL17005898 0.88 ALDH1A1 (0.53) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL28913770 0.85 EGLN1 (0.65) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL17005925 0.81 NPC1 (0.58) MEN1KMT2AALDH1A1POLBEGLN1
SCHEMBL17005923 0.80 NPC1 (0.52) MEN1KMT2AALDH1A1POLBEGLN1
SCHEMBL17005913 0.80 NPC1 (0.54) MEN1KMT2AALDH1A1EGLN1KDM4E
SCHEMBL28576610 0.77 VEGFA (0.65) MEN1KMT2AALDH1A1EGLN1KDM4E
SCHEMBL12649400 0.77 VEGFA (0.69) MEN1KMT2AALDH1A1EGLN1KDM4E
SCHEMBL1773790 0.76 VEGFA (0.71) MEN1KMT2AALDH1A1TDP1EGLN1

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
EP-3107542-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES Aerpio Therapeutics, Inc. (US) 2016-12-28 — — EP disclosed
WO-2015126860-A1 PROCESS FOR PREPARING N-BENZYL-3-HYDROXY-4-SUBSTITUTED-PYRIDIN-2-(1H)-ONES AERPIO THERAPEUTICS, INC. (US) 2015-08-27 — — WO disclosed
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