SCHEMBL10453028

SCHEMBL10453028

CCCC(=O)c1ccc(CCNC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
F13A1 P00488 1/20 0.60
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 2/20 0.53
HSD17B3 P37058 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL10865713 0.87 L3MBTL1 (0.66) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL10451965 0.87 KDM4E (0.64) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL9661496 0.84 SMN1; SMN2 (0.60) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL10462585 0.84 HDAC3 (0.53) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL4867311 0.83 ALDH1A1 (0.73) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL6845396 0.83 KDM4E (0.72) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL10592850 0.82 KDM4E (0.84) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL6330555 0.82 KDM4E (0.62) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL11472615 0.82 L3MBTL1 (0.55) KDM4EF13A1HDAC3HDAC4HDAC1
SCHEMBL11481699 0.82 L3MBTL1 (0.55) KDM4EF13A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127282-A1 SUBSTITUTED 1,2, 4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 WO disclosed
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed