SCHEMBL9845295

SCHEMBL9845295

COCCCCC(=O)C1C2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
ALOX15 P16050 1/20 0.35
FPR1 P21462 1/20 0.35
RXFP1 Q9HBX9 1/20 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
SCHEMBL9032586 1.00 MEN1 (0.42) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL28390865 0.90 MEN1 (0.44) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL5739403 0.89 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL28395791 0.89 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9680323 0.89 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9678848 0.89 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL30480079 0.81 CYP2C9 (0.46) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9737464 0.81 CYP2C9 (0.46) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9737057 0.81 CYP2C9 (0.46) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9845296 0.78 MEN1 (0.39) MEN1KMT2AHPGDGAASMN1; SMN2

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