SCHEMBL9724724

SCHEMBL9724724

CC(O)C(=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 12/20 0.67
HDAC2 Q92769 11/20 0.67
NCOR2 Q9Y618 8/20 0.67
MAPK1 P28482 1/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
EPHA2 P29317 1/20 0.60

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
SCHEMBL7277891 0.90 HDAC1 (0.73) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL675361 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2MAPK1
Tacedinaline SCHEMBL29482198 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2MAPK1
Tacedinaline SCHEMBL144794 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL2106529 0.82 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2
SCHEMBL672860 0.82 HDAC1 (0.71) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL8401704 0.82 HDAC1 (0.89) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL3763365 0.81 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL27406946 0.81 HDAC1 (0.69) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL10373334 0.81 HDAC1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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