SCHEMBL18923264

SCHEMBL18923264

Nc1ccc2c(c1)C(=O)N(C1CCC(=O)N(CCCOC(=O)c3cccnc3)C1=O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP7 P55210 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4936308 0.95 GAA (0.43) L3MBTL1LMNAGAADDB1CRBN
SCHEMBL4938895 0.88 LMNA (0.47) L3MBTL1LMNAGAAKMT2AMEN1
SCHEMBL4931976 0.85 DDB1 (0.42) LMNAGAADDB1CRBNKMT2A
SCHEMBL4939139 0.85 SMN1; SMN2 (0.49) L3MBTL1LMNAGAAKMT2AMEN1
Niacin SCHEMBL4936302 0.84 DDB1 (0.41) L3MBTL1LMNAGAADDB1CRBN
SCHEMBL4938878 0.81 GAA (0.43) L3MBTL1LMNAGAADDB1CRBN
SCHEMBL3593195 0.79 L3MBTL1 (0.45) L3MBTL1LMNAGAAKMT2AMEN1
SCHEMBL31623352 0.79 DDB1 (0.48) GAADDB1CRBNKMT2AMEN1
SCHEMBL4940932 0.79 DDB1 (0.48) GAADDB1CRBNKMT2AMEN1
SCHEMBL19889418 0.79 DDB1 (0.36) LMNAGAADDB1CRBNKMT2A

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
US-9669015-B2 Piperidine-2, 6-dione derivatives and their use as tumor necrosis factor inhibitors TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2017-06-06 US disclosed