SCHEMBL6313480

SCHEMBL6313480

O=C(/C=C/c1ccccc1)/N=C\NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ HDAC4 P56524 3/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC2 Q92769 3/20 0.53
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ PLIN1 O60240 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ PLIN5 Q00G26 2/20 0.53
▸ ABHD5 Q8WTS1 2/20 0.53
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC9 Q9UKV0 2/20 0.53
▸ HDAC5 Q9UQL6 2/20 0.53
▸ TNKS O95271 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53

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
SCHEMBL6313483 1.00 MAPT (0.53) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27560284 0.81 MAPT (0.57) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL4023735 0.78 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL4029202 0.78 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL16588259 0.76 HDAC1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL6313240 0.75 GLA (0.52) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL6313245 0.75 GLA (0.52) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL29111191 0.75 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL11476908 0.75 TDP1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL11476916 0.75 TDP1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2

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-6956049-B1 Methods of modulating processes mediated by excitatory amino acid receptors MERCK & CO., INC. (US) 2005-10-18 — — US disclosed
EP-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 — — EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 — — WO disclosed
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