SCHEMBL3948859

SCHEMBL3948859

COC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.59
HDAC3 O15379 8/20 0.59
HDAC2 Q92769 7/20 0.59
NCOR2 Q9Y618 1/20 0.59
HDAC6 Q9UBN7 5/20 0.56
HDAC8 Q9BY41 4/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50

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
SCHEMBL30006351 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2175904 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC6
Bromide SCHEMBL3943842 0.88 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC6
Hydrochloric Acid SCHEMBL3943756 0.88 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC6
Acetic Acid SCHEMBL4103112 0.86 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC6
Phosphoric Acid SCHEMBL3948469 0.86 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3949456 0.86 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3940281 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC6
Sulfuric Acid SCHEMBL3948204 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3943677 0.85 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2HDAC6

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-RE40703-E1 Cell differentiation inducer, benzamide compounds SCHERING AKTIENGESELLSCHAFT (DE) 2009-04-28 US disclosed
US-RE39754-E1 Benzamide derivatives and pharmaceutical compositions containing same SCHERING AG (DE) 2007-07-31 US disclosed