SCHEMBL8435919

SCHEMBL8435919

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(C)CC3)N(C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTRA1 Q92743 1/20 0.39
HTR2A P28223 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL8521567 0.90 TP53 (0.43) MAPTSMN1; SMN2POLBKDM4E
SCHEMBL8521564 0.90 TP53 (0.43) MAPTSMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL8579092 0.86 HPGD (0.40) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7454797 0.84 ALDH1A1 (0.42) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL8440250 0.84 ALDH1A1 (0.42) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL8604028 0.83 IDO1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL8439880 0.83 IDO1 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDMAOB
SCHEMBL8436470 0.80 GAA (0.41) MAPTSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL9127639 0.79 KCNJ1 (0.41) MAPTSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL8540916 0.78 GAA (0.42) MAPTSMN1; SMN2ALDH1A1L3MBTL1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed