SCHEMBL20051933

SCHEMBL20051933

CCOC(=O)N1C(=O)CN(c2ccc(C)cc2)C1=S

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 4/20 0.54
CASP3 P42574 2/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL17082955 0.71 LMNA (0.64) KMT2ARAB9AMEN1CASP3SMN1; SMN2
SCHEMBL17082944 0.70 LMNA (0.66) KMT2ARAB9AMEN1CASP3SMN1; SMN2
SCHEMBL15127501 0.68 MAPT (0.79) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL11072116 0.67 KMT2A (0.49) KMT2ARAB9AMEN1NPC1HTT
SCHEMBL11255607 0.66 MAPT (0.56) KMT2ARAB9AMEN1NPC1HTT
SCHEMBL17082974 0.65 LMNA (0.47) KMT2ARAB9AMEN1CASP3ALDH1A1
SCHEMBL1949475 0.65 HPGD (0.56) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL8389436 0.65 MAPT (0.45) KMT2ARAB9AMEN1NPC1HTT
SCHEMBL5573133 0.65 ALDH1A1 (0.44) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL18485397 0.65 ALDH1A1 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2

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-9944607-B2 Thiohydantoin derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-17 US disclosed