SCHEMBL8764741

SCHEMBL8764741

CC(C)C[C@@H]([C]=O)NC(=O)C(S)CCCNC(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 2/20 0.46
EPHX2 P34913 1/20 0.46
ALOX15 P16050 1/20 0.45
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
CTSK P43235 1/20 0.41
NAMPT P43490 1/20 0.41
PSMB5 P28074 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
SCHEMBL7466229 0.80 PSMB5 (0.51) SMN1; SMN2ALDH1A1KMT2AEPHX2CTSK
SCHEMBL7895273 0.80 PSMB5 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7374853 0.78 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL7392610 0.72 EPHX2 (0.71) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL7895298 0.71 PSMB5 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7364710 0.71 NPC1 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8516755 0.71 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL7382806 0.70 KDM4E (0.47) SMN1; SMN2ALDH1A1KMT2AEPHX2HDAC3
SCHEMBL6357075 0.69 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4260290 0.68 KMT2A (0.59) SMN1; SMN2ALDH1A1KMT2AMEN1EPHX2

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-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed