SCHEMBL7436212

SCHEMBL7436212

CC(C)(N)CSC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
GSK3B P49841 2/20 0.44
PTPN1 P18031 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 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
SCHEMBL8311878 0.81 KMT2A (0.46) KMT2AGSK3BPTPN1GPR139MAPT
SCHEMBL9301261 0.79 KMT2A (0.44) KMT2AGSK3BPTPN1GPR139MAPT
SCHEMBL19619388 0.75 MAPT (0.52) KMT2AGSK3BPTPN1MAPTTDP1
SCHEMBL3754394 0.75 MAPT (0.52) KMT2AGSK3BPTPN1MAPTTDP1
SCHEMBL17236360 0.74 KMT2A (0.46) KMT2AGSK3BPTPN1GPR139MAPT
SCHEMBL1641518 0.74 HDAC3 (0.55) KMT2AGSK3BPTPN1GPR139MAPT
SCHEMBL18113289 0.74 POLB (0.46) KMT2AMAPTTDP1MAPK1MEN1
SCHEMBL16047247 0.73 KMT2A (0.52) KMT2AGSK3BPTPN1GPR139MAPT
Hydrochloric Acid SCHEMBL10431496 0.73 MAPT (0.50) KMT2AGSK3BPTPN1MAPTTDP1
SCHEMBL17236362 0.73 KMT2A (0.45) KMT2AGSK3BPTPN1GPR139MAPT

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed