SCHEMBL2651752

SCHEMBL2651752

NC(=O)Cc1nc(Cl)cs1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
F2 P00734 1/20 0.40
SCN9A Q15858 1/20 0.37
HTT P42858 1/20 0.36
GABRA5 P31644 1/20 0.34
GABRB2 P47870 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPSE Q9Y251 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ACACA Q13085 1/20 0.32

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
SCHEMBL2090920 0.77 RAB9A (0.59) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL3129377 0.77 LMNA (0.59) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL26334712 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL8212228 0.75 CYP1A2 (0.36) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL27957215 0.75 ALDH1A1 (0.74) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL27737137 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL2652124 0.74 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL972897 0.74 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNARAB9AMEN1
SCHEMBL2654211 0.74 KMT2A (0.49) ALDH1A1RAB9AMEN1SMN1; SMN2MAPT
SCHEMBL29444684 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNARAB9AMEN1

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-2003024964-A1 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS GABA-A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2003-03-27 WO disclosed