SCHEMBL9407493

SCHEMBL9407493

CCOC(=O)NCCN(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL3068694 0.90 SMN1; SMN2 (0.47) SMN1; SMN2TP53KMT2AMEN1CYP3A4
SCHEMBL9407564 0.87 IDO1 (0.41) SMN1; SMN2TP53KMT2AMEN1CYP3A4
SCHEMBL9407550 0.85 CKS1B (0.38) SMN1; SMN2TP53HDAC3HDAC1HDAC2
SCHEMBL9407513 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1IDO1MAPT
SCHEMBL9363322 0.82 TDP1 (0.49) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL15283620 0.80 CKS1B (0.50) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL27572033 0.80 TP53 (0.54) SMN1; SMN2TP53HDAC3HDAC1HDAC2
SCHEMBL15189256 0.80 NPC1 (0.52) SMN1; SMN2TP53KMT2AMEN1CYP3A4
SCHEMBL3061972 0.79 NPC1 (0.46) SMN1; SMN2TP53HDAC3HDAC4HDAC1
SCHEMBL5090319 0.78 MEN1 (0.50) SMN1; SMN2TP53HDAC3HDAC1HDAC2

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-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 EP disclosed