SCHEMBL2473029

SCHEMBL2473029

CN(C)CCCC(NC(=O)Nc1cccc(OCc2ccccc2)c1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
UTS2R Q9UKP6 5/20 0.49
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
NCOR2 Q9Y618 3/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
PDGFRB P09619 1/20 0.43
CDK2 P24941 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL2478995 0.91 HDAC1 (0.51) HDAC1UTS2RHDAC3HDAC2MEN1
SCHEMBL2474402 0.87 UTS2R (0.47) HDAC1UTS2RHDAC3HDAC2NCOR2
SCHEMBL3832675 0.86 UTS2R (0.56) HDAC1UTS2RHDAC3HDAC2NCOR2
SCHEMBL3832758 0.83 UTS2R (0.49) HDAC1UTS2RHDAC3HDAC2NCOR2
SCHEMBL2476829 0.82 UTS2R (0.49) HDAC1UTS2RHDAC3HDAC2MEN1
SCHEMBL2471256 0.81 UTS2R (0.58) HDAC1UTS2RHDAC3HDAC2NCOR2
SCHEMBL2474421 0.81 HDAC1 (0.48) HDAC1UTS2RHDAC3HDAC2NPC1
SCHEMBL2478630 0.81 HDAC1 (0.56) HDAC1UTS2RHDAC3HDAC2NCOR2
SCHEMBL2473027 0.80 HDAC1 (0.52) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL2474066 0.80 HDAC1 (0.62) HDAC1UTS2RHDAC3HDAC2NPC1

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