SCHEMBL2476882

SCHEMBL2476882

Nc1ccc(NC(=O)NC(CCCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.51
PIK3CA P42336 8/20 0.51
HDAC1 Q13547 12/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
EPHX2 P34913 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL2473466 0.93 HDAC1 (0.61) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2478730 0.92 HDAC1 (0.49) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL4390020 0.91 PIK3CA (0.48) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL3833732 0.90 HDAC1 (0.51) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2477952 0.90 HDAC3 (0.47) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2474116 0.89 HDAC1 (0.48) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL4388408 0.88 HDAC1 (0.54) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2473928 0.88 HDAC1 (0.47) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2474349 0.88 EGFR (0.49) HDAC3PIK3CAHDAC1HDAC2HDAC4
SCHEMBL2473979 0.88 HDAC1 (0.47) HDAC3PIK3CAHDAC1HDAC2HDAC4

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
EP-2107052-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP claimed