SCHEMBL2478730

SCHEMBL2478730

COC(=O)c1ccc(NC(=O)NC(CCCN2CCOCC2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.49
HDAC3 O15379 6/20 0.49
PIK3CA P42336 6/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC2 Q92769 4/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
EPHX2 P34913 2/20 0.44
EPHA2 P29317 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
BCL3 P20749 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL2476882 0.92 HDAC3 (0.51) HDAC1HDAC3PIK3CAHDAC2HDAC4
SCHEMBL2473466 0.90 HDAC1 (0.61) HDAC1HDAC3PIK3CAHDAC2HDAC4
SCHEMBL4390020 0.90 PIK3CA (0.48) HDAC1HDAC3PIK3CAHDAC2HDAC4
SCHEMBL4392742 0.89 HDAC1 (0.56) HDAC1HDAC3PIK3CASMN1; SMN2HDAC2
SCHEMBL4396311 0.89 HDAC1 (0.50) HDAC1HDAC3PIK3CASMN1; SMN2HDAC2
SCHEMBL2477952 0.88 HDAC3 (0.47) HDAC1HDAC3PIK3CAHDAC2HDAC4
SCHEMBL2477122 0.88 HDAC1 (0.56) HDAC1HDAC3PIK3CASMN1; SMN2EPHX2
SCHEMBL3833732 0.88 HDAC1 (0.51) HDAC1HDAC3PIK3CAMAPK1HDAC2
SCHEMBL2473928 0.87 HDAC1 (0.47) HDAC1HDAC3PIK3CAHDAC2HDAC4
SCHEMBL2473979 0.87 HDAC1 (0.47) HDAC1HDAC3PIK3CAMAPK1SMN1; SMN2

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 disclosed