SCHEMBL2652124

SCHEMBL2652124

NC(=O)Cc1nc(CF)cs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN9A Q15858 1/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 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
SCHEMBL27737137 0.82 ALDH1A1 (0.53) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL3129377 0.78 LMNA (0.59) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL15581589 0.76 GABRA5 (0.44) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL2657920 0.76 MEN1 (0.54) ALDH1A1LMNAMEN1SMN1; SMN2MAPT
SCHEMBL15110978 0.75
SCHEMBL2090920 0.74 RAB9A (0.59) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL2651752 0.74 ALDH1A1 (0.51) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL29444684 0.74 ALDH1A1 (0.48) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL14206861 0.72 SLC6A3 (0.45) ALDH1A1LMNARAB9AL3MBTL1MEN1
SCHEMBL972897 0.71 ALDH1A1 (0.49) ALDH1A1LMNARAB9AL3MBTL1MEN1

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
WO-2003024964-A1 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS GABA-A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2003-03-27 WO disclosed
WO-2003016311-A1 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-02-27 WO disclosed