SCHEMBL9547896

SCHEMBL9547896

CCOC(=O)NCC(Cl)Sc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL5696631 0.75 NPC1 (0.55) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL9008098 0.75 PIN1 (0.47) PKMSMN1; SMN2NPC1HPGDTUBB4A
SCHEMBL10909193 0.73 GAA (0.53) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28333257 0.73 NPC1 (0.52) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8170647 0.73 NPC1 (0.52) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8062422 0.73 SMN1; SMN2 (0.72) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10441979 0.73 SMN1; SMN2 (0.72) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5704283 0.73 SMN1; SMN2 (0.72) GAASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28491869 0.72 SMN1; SMN2 (0.51) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL11817792 0.72 SMN1; SMN2 (0.51) GAAHDAC3HDAC4HDAC1HDAC7

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
US-5192803-A Insecticides, miticides, larvicides, ovicides CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed