SCHEMBL9032170

SCHEMBL9032170

CCOC1[C@@H]2CSC(c3ccc(CC)cc3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL9031331 0.93 KMT2A (0.44) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9031546 0.92 MEN1 (0.54) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9032752 0.90 MEN1 (0.57) MEN1KMT2APOLBCYP2C9CYP2C19
SCHEMBL9032560 0.90 MEN1 (0.47) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9032822 0.89 MEN1 (0.51) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9030823 0.89 MEN1 (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9030397 0.88 MEN1 (0.54) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL9033172 0.85 POLB (0.53) MEN1KMT2ASMN1; SMN2POLBCYP2C9
SCHEMBL9032250 0.85 KMT2A (0.42) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL9032206 0.83 OPRM1 (0.41) MEN1KMT2AHPGDSMN1; SMN2L3MBTL1

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