SCHEMBL3942290

SCHEMBL3942290

COC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.57
HDAC3 O15379 7/20 0.55
HDAC2 Q92769 7/20 0.55
NCOR2 Q9Y618 2/20 0.55
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC10 Q969S8 4/20 0.52
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NCOR1 O75376 1/20 0.48

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
SCHEMBL3949456 0.89 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3940641 0.86 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3940217 0.85 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3948859 0.84 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3938791 0.84 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3938755 0.84 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL2175904 0.82 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL30006351 0.82 HDAC1 (0.59) HDAC1HDAC3HDAC2NCOR2HDAC10
Bromide SCHEMBL3943842 0.81 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC10
Hydrochloric Acid SCHEMBL3943756 0.81 HDAC1 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC10

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