SCHEMBL5897576

SCHEMBL5897576

Nc1ccccc1NC(=S)NCC1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.52
HDAC4 P56524 6/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC7 Q8WUI4 6/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC8 Q9BY41 6/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC9 Q9UKV0 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BRD4 O60885 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 2/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL5879547 0.84 KDM4E (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10372053 0.78 KMT2A (0.56) MAPTL3MBTL1BRD4HPGDSMN1; SMN2
SCHEMBL7993458 0.77 ALDH1A1 (0.56) SMN1; SMN2
SCHEMBL11909187 0.75 GRIN2B (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10368749 0.74 BRD4 (0.59) MAPTL3MBTL1BRD4SMN1; SMN2
SCHEMBL17796145 0.74 CXCR4 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9963676 0.73 PPID (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3991264 0.72 KDM4E (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3899220 0.72 TDP1 (0.46) BRD4TDP1
SCHEMBL6684742 0.71 BRD4 (0.64) MAPTL3MBTL1BRD4HPGDSMN1; SMN2

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
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed