SCHEMBL9030823

SCHEMBL9030823

CCOC1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KCNA5 P22460 1/20 0.39
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMO Q99835 2/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL9031331 0.93 KMT2A (0.44) MEN1KMT2AHPGDGAAATM
SCHEMBL9032822 0.92 MEN1 (0.51) MEN1KMT2AHPGDGAAATM
SCHEMBL9030397 0.90 MEN1 (0.54) MEN1KMT2AKCNA5GAAPOLB
SCHEMBL9032170 0.89 MEN1 (0.46) MEN1KMT2AHPGDGAAATM
SCHEMBL9031546 0.87 MEN1 (0.54) MEN1KMT2AHPGDGAAATM
SCHEMBL9033172 0.87 POLB (0.53) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9032752 0.85 MEN1 (0.57) MEN1KMT2AKCNA5POLBALDH1A1
SCHEMBL9032560 0.85 MEN1 (0.47) MEN1KMT2AHPGDGAAATM
SCHEMBL9032250 0.85 KMT2A (0.42) MEN1KMT2AHPGDGAAATM
SCHEMBL9031081 0.83 MEN1 (0.43) MEN1KMT2AHPGDGAAATM

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
EP-0415166-B1 Process for the preparation of cyanohydantoines MERCK PATENT GMBH (DE) 1996-11-20 EP disclosed
EP-0415166-A2 Process for the preparation of cyanohydantoines MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed