SCHEMBL9697181

SCHEMBL9697181

Cc1nc2ccc(C[NH])cc2c(=O)n1COC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 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
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42

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
SCHEMBL8490703 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9248248 0.89 ALDH1A1 (0.45) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9245910 0.86 POLB (0.45) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9371713 0.82 HDAC1 (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9300884 0.81 POLB (0.47) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL8488725 0.80 MAPT (0.38) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL8488726 0.79 ALDH1A1 (0.37) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9221651 0.78 TYMS (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL8485814 0.77 GAA (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9299066 0.77 POLB (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1

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-0509643-A1 Anti-cancer compounds BTG INTERNATIONAL LIMITED (GB) 1992-10-21 EP disclosed