SCHEMBL9845296

SCHEMBL9845296

COCCCCC(=O)C1C2C(c3ccccc3)SCN2C(=O)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
ALOX15 P16050 1/20 0.35
FPR1 P21462 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL9845295 0.78 MEN1 (0.42) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9032586 0.78 MEN1 (0.42) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL10667584 0.74 EHMT2 (0.38) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9679059 0.74 EHMT2 (0.38) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9737467 0.71 EHMT2 (0.35) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL28390865 0.69 MEN1 (0.44) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9680323 0.66 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL5739403 0.66 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL28395791 0.66 CYP2C9 (0.40) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9678848 0.66 CYP2C9 (0.40) 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