SCHEMBL24340796

SCHEMBL24340796

CS/C(=C/C#N)c1ccc(NC(=O)CCCNC(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 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
SCHEMBL24340773 0.92 HDAC3 (0.47) SMN1; SMN2MAPTNPC1HDAC3HDAC1
SCHEMBL25837253 0.89 HDAC3 (0.48) SMN1; SMN2NPC1HDAC3HDAC1HDAC2
SCHEMBL25834809 0.81 HDAC3 (0.42) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL25837258 0.80 HDAC3 (0.45) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4
SCHEMBL24340807 0.79 HDAC3 (0.56) SMN1; SMN2MAPTNPC1ALDH1A1HDAC3
SCHEMBL26036543 0.78 HDAC3 (0.47) SMN1; SMN2MAPTNPC1ALDH1A1HDAC3
SCHEMBL26552016 0.77 HPGD (0.42) SMN1; SMN2MAPTNPC1ALDH1A1MAPK1
SCHEMBL25839793 0.77 HDAC3 (0.49) SMN1; SMN2MAPTNPC1ALDH1A1HDAC3
SCHEMBL25855949 0.76 HDAC3 (0.53) SMN1; SMN2NPC1HDAC3HDAC1HDAC2
SCHEMBL25851766 0.76 HDAC3 (0.47) SMN1; SMN2HDAC3HDAC1HDAC2HDAC4

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
WO-2022056273-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. (US) 2022-03-17 WO disclosed