SCHEMBL7921625

SCHEMBL7921625

Cc1cccc(SC(C)C2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
USP30 Q70CQ3 3/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACKR3 P25106 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL7930215 0.88 USP30 (0.51) GPR119USP30MEN1KMT2AMAPT
SCHEMBL2190031 0.87 USP30 (0.45) GPR119USP30KMT2AMAPTHPGD
SCHEMBL2322336 0.81 GPR119 (0.50) GPR119USP30MEN1KMT2AMAPT
SCHEMBL2322344 0.81 GPR119 (0.50) GPR119USP30MEN1KMT2AMAPT
SCHEMBL2322341 0.81 GPR119 (0.50) GPR119USP30MEN1KMT2AMAPT
SCHEMBL7928886 0.80 GPR119 (0.47) GPR119USP30MEN1KMT2AKAT6A
SCHEMBL25571889 0.77 GPR119 (0.57) GPR119MEN1KMT2AMAPTNPC1
SCHEMBL3038735 0.77 RORC (0.42) GPR119MAPTNPSR1L3MBTL1
SCHEMBL21626597 0.75 GPR119 (0.62) GPR119MEN1KMT2AMAPT
SCHEMBL3043410 0.75 GPR119 (0.46) GPR119MAPTNPC1ALDH1A1MAPK1

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-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed