SCHEMBL6203368

SCHEMBL6203368

CCCCNC(C(=O)c1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HAT1 O14929 7/20 0.49
EP300 Q09472 7/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
BLM P54132 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL6205477 0.93 HDAC3 (0.55) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL6275504 0.87 HAT1 (0.54) HAT1EP300KMT2APOLBMAPT
SCHEMBL6199617 0.87 MAPT (0.53) HAT1EP300KMT2APOLBMAPT
SCHEMBL6202507 0.79 SMN1; SMN2 (0.48) HAT1EP300SMN1; SMN2ALDH1A1LMNA
SCHEMBL8089030 0.77 SMN1; SMN2 (0.56) KMT2APOLBMAPTMEN1SMN1; SMN2
SCHEMBL11349018 0.77 SMN1; SMN2 (0.56) KMT2APOLBMAPTMEN1SMN1; SMN2
SCHEMBL12159279 0.77 SMN1; SMN2 (0.56) KMT2APOLBMAPTMEN1SMN1; SMN2
SCHEMBL28185251 0.76 SMN1; SMN2 (0.55) KMT2APOLBMAPTMEN1SMN1; SMN2
SCHEMBL6219820 0.76 MAPT (0.48) KMT2APOLBMAPTMEN1NPC1
SCHEMBL6320430 0.76 NPC1 (0.53) KMT2APOLBMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed