SCHEMBL28063243

SCHEMBL28063243

CC(=O)NCOCNC(C)=O.c1ccc(CSOSCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN9A Q15858 1/20 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
SCHEMBL28063242 0.87 LMNA (0.46) MTNR1AMTNR1BL3MBTL1ALDH1A1HPGD
Acetic Acid Methyl Ester SCHEMBL28504359 0.82 ALDH1A1 (0.48) L3MBTL1ALDH1A1CYP2C9LMNA
SCHEMBL28121204 0.81 ALDH1A1 (0.41) L3MBTL1ALDH1A1
SCHEMBL28067210 0.79 LMNA (0.41) L3MBTL1ALDH1A1HPGDSMN1; SMN2LMNA
Acetic Acid SCHEMBL28536489 0.78 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL8450 0.75 IDO1 (0.44) CA12CA1CA2CA9
Water SCHEMBL28337532 0.73 IDO1 (0.43) CA12CA1CA2CA9
SCHEMBL10519643 0.71 ALDH1A1 (0.52) L3MBTL1ALDH1A1LMNA
Acetic Acid SCHEMBL28365922 0.71 ALDH1A1 (0.47) L3MBTL1ALDH1A1LMNA
SCHEMBL9104 0.71 KDM4E (0.46) MTNR1AMTNR1BL3MBTL1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106148362-A Novel coelenterazine substrates and methods of use thereof 普罗梅加公司 2016-11-23 CN disclosed
CN-103370319-B Novel coelenterazine substrate and using method thereof 普罗美加公司 2016-08-24 CN disclosed