SCHEMBL2654293

SCHEMBL2654293

CCOC(=O)Cc1nc(C2CC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2844080 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1TDP1HSD17B10
SCHEMBL12790156 0.79 RORC (0.45) MEN1HSD17B10TMIGD3ADORA1SMN1; SMN2
SCHEMBL696137 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7382979 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TDP1HSD17B10
SCHEMBL577947 0.77 TMIGD3 (0.47) MEN1KMT2AALDH1A1HSD17B10ALOX15
SCHEMBL25309164 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2654211 0.76 KMT2A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL18722146 0.76 MEN1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11199790 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3361917 0.75 RORC (0.46) MEN1KMT2AALDH1A1HSD17B10TMIGD3

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-2003018546-A2 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-03-06 WO disclosed