SCHEMBL9502413

SCHEMBL9502413

CCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=S)NCCCSC)ccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.42
HDAC3 O15379 9/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SOAT1 P35610 2/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
EP300 Q09472 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9692530 1.00 CETP (0.42) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9502962 1.00 CETP (0.42) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9502223 0.95 CETP (0.43) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9503044 0.95 CETP (0.43) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9506112 0.92 ACAT1 (0.39) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9502449 0.91 HDAC3 (0.44) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9692496 0.91 HDAC3 (0.44) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9506074 0.91 HDAC3 (0.44) CETPHDAC3GAATDP1L3MBTL1
SCHEMBL9692860 0.91 HDAC3 (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL9692777 0.90 ALDH1A1 (0.38) HDAC3HDAC1HDAC4HDAC7HDAC2

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
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed