SCHEMBL9724771

SCHEMBL9724771

NCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.71
HDAC3 O15379 6/20 0.70
HDAC2 Q92769 5/20 0.70
NCOR2 Q9Y618 2/20 0.70
MAPK1 P28482 1/20 0.64
PTGS1 P23219 1/20 0.58
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL4001888 0.88 HDAC1 (0.71) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL4005070 0.86 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL23673796 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL2413412 0.85 HDAC1 (0.67) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL674396 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL8401704 0.84 HDAC1 (0.89) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL2412324 0.82 HDAC1 (0.67) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL674310 0.82 HDAC1 (0.75) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL2411960 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2MAPK1
Tacedinaline SCHEMBL144794 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2MAPK1

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-5137918-A Anticancer agent GOEDECKE AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed