SCHEMBL9032206

SCHEMBL9032206

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
SMO Q99835 2/20 0.35

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 0.87 KMT2A (0.44) OPRM1OPRL1EHMT2MEN1KMT2A
SCHEMBL9032856 0.87 OPRM1 (0.41) OPRM1OPRL1EHMT2MEN1KMT2A
SCHEMBL9031546 0.83 MEN1 (0.54) OPRM1OPRL1MEN1KMT2AHPGD
SCHEMBL9032274 0.83 OPRL1 (0.45) OPRM1OPRL1EHMT2MEN1KMT2A
SCHEMBL9032170 0.83 MEN1 (0.46) OPRM1OPRL1MEN1KMT2AHPGD
SCHEMBL9030792 0.82 OPRL1 (0.44) OPRM1OPRL1EHMT2MEN1KMT2A
SCHEMBL9032752 0.82 MEN1 (0.57) MEN1KMT2APOLB
SCHEMBL9032560 0.82 MEN1 (0.47) MEN1KMT2AHPGDGAAATM
SCHEMBL9030823 0.81 MEN1 (0.41) MEN1KMT2AHPGDGAAATM
SCHEMBL9032822 0.81 MEN1 (0.51) OPRM1OPRL1MEN1KMT2AHPGD

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