SCHEMBL9033172

SCHEMBL9033172

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TRPV6 Q9H1D0 1/20 0.40
MEN1 O00255 3/20 0.40
MGAM O43451 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD4 P21917 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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 0.89 KMT2A (0.44) POLBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9032822 0.87 MEN1 (0.51) POLBKMT2ASMN1; SMN2MEN1CYP2C9
SCHEMBL9030397 0.85 MEN1 (0.54) POLBKMT2AMEN1ALDH1A1
SCHEMBL9032170 0.85 MEN1 (0.46) POLBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9032250 0.83 KMT2A (0.42) POLBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9032560 0.81 MEN1 (0.47) KMT2ASMN1; SMN2MEN1
SCHEMBL9032752 0.81 MEN1 (0.57) POLBKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL9031081 0.79 MEN1 (0.43) POLBKMT2ASMN1; SMN2MEN1CYP2C9
SCHEMBL7692692 0.78 KMT2A (0.48) POLBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9032371 0.78 KMT2A (0.48) POLBKMT2ASMN1; SMN2MEN1ALDH1A1

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