SCHEMBL28063242

SCHEMBL28063242

CC(=O)NCOCNC(C)=O.c1ccc(CSCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28063243 0.87 MTNR1A (0.41) LMNAALDH1A1HPGDSMN1; SMN2MTNR1A
Acetic Acid Methyl Ester SCHEMBL23070551 0.80 CYP2C19 (0.53) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
Acetone SCHEMBL27517311 0.80 CYP2C19 (0.61) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
Acetic Acid SCHEMBL23070491 0.80 CYP2C19 (0.61) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL28121203 0.79 CYP2C19 (0.49) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL17468450 0.78 ALDH1A1 (0.69) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL28067208 0.78 CYP2C19 (0.47) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
Acetic Acid SCHEMBL28532080 0.74 CYP2C19 (0.55) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
Methyl Alcohol SCHEMBL29261078 0.73 CYP2C19 (0.56) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL9104 0.73 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EMTNR1AMTNR1B

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