SCHEMBL10367109

SCHEMBL10367109

CC(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
KIF11 P52732 6/20 0.54
CRBN Q96SW2 1/20 0.54
MAP4K1 Q92918 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A2 O94788 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNIK Q9UKE5 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3660566 0.88 SMYD3 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291379 0.81 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL25124380 0.80 KIF11 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291376 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291405 0.80 PKM (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10365651 0.80 CRBN (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291249 0.80 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10366740 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10366850 0.78 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291247 0.78 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145010-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-03-14 EP disclosed
US-4593035-A FOR TREATING HEART DISEASE OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1986-06-03 US disclosed
EP-0145010-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed