SCHEMBL6694698

SCHEMBL6694698

CC(=O)N1CCC(C(C)(NC(=O)c2ccc(COc3cccc4ncccc34)cc2)C2NC(=O)NC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.35
GCK P35557 1/20 0.35
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.34
MMP13 P45452 2/20 0.34
MMP12 P39900 1/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF4H Q15056 1/20 0.33

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
SCHEMBL4050275 0.81 CHRM2 (0.40) SMN1; SMN2CHRM2GCKHTR1AALDH1A1
SCHEMBL6694701 0.79 CHRM2 (0.39) SMN1; SMN2CHRM2GCKHTR1AALDH1A1
SCHEMBL6694703 0.79 P2RX7 (0.37) SMN1; SMN2CHRM2GCKHTR1AALDH1A1
SCHEMBL6700679 0.78 MMP12 (0.42) MMP13MMP12MEN1KMT2A
SCHEMBL8739476 0.69 EZH2 (0.63) SMN1; SMN2MEN1KMT2A
SCHEMBL4050732 0.68 RAB9A (0.38) ALDH1A1MAPTGAAKMT2A
SCHEMBL6681647 0.66 MMP2 (0.50) MMP12
SCHEMBL4060462 0.65 RXRA (0.55) SMN1; SMN2ALDH1A1MAPTHDAC6KDM4E
SCHEMBL6692739 0.63 MEN1 (0.40) SMN1; SMN2ALDH1A1MAPTHDAC6KDM4E
SCHEMBL8738177 0.63 EZH2 (0.67) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed