SCHEMBL9685902

SCHEMBL9685902

CN(C)C(=O)c1ccc2c(c1)C(=O)c1ccc([Sn](C)(C)C)cc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
TTR P02766 2/20 0.41
PTPRC P08575 2/20 0.40
MAPK14 Q16539 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
PDK2 Q15119 1/20 0.36
ATM Q13315 1/20 0.36
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
TERT O14746 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
JAK3 P52333 1/20 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
SCHEMBL9683947 0.97 S100A4 (0.41) S100A4TTRPTPRCMAPK14HTR7
SCHEMBL9684470 0.82 HTR7 (0.46) S100A4TTRPTPRCHTR7HTR2B
SCHEMBL9685931 0.80 PTPRC (0.47) S100A4TTRPTPRCNPC1RAB9A
SCHEMBL9684565 0.80 NPC1 (0.45) S100A4TTRPTPRCNPC1RAB9A
SCHEMBL9685511 0.79 MEN1 (0.47) S100A4TTRPTPRCMAPK14HTR7
SCHEMBL9684730 0.77 TERT (0.43) S100A4TTRPTPRCMAPK14NPC1
SCHEMBL9684489 0.77 PTPRC (0.49) S100A4PTPRCNPC1RAB9AATM
SCHEMBL9849269 0.74 ELANE (0.53) S100A4TTRPTPRCNPC1RAB9A
SCHEMBL8502941 0.74 ALDH1A1 (0.55) PDK2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL29117498 0.72 ELANE (0.55) S100A4TTRPTPRCNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed