SCHEMBL9683947

SCHEMBL9683947

CN(C)C(=O)c1ccc2c(c1)-c1cc([Sn](C)(C)C)ccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.41
MAPK14 Q16539 2/20 0.39
TTR P02766 1/20 0.39
PTPRC P08575 2/20 0.38
PDK2 Q15119 1/20 0.38
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
JAK3 P52333 1/20 0.36
MAPT P10636 3/20 0.34
TERT O14746 2/20 0.34
LMNA P02545 1/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
PDE9A O76083 1/20 0.33

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
SCHEMBL9685902 0.97 S100A4 (0.42) S100A4MAPK14TTRPTPRCPDK2
SCHEMBL9685511 0.81 MEN1 (0.47) S100A4MAPK14TTRPTPRCSMN1; SMN2
SCHEMBL9684730 0.79 TERT (0.43) S100A4MAPK14TTRPTPRCALDH1A1
SCHEMBL9684489 0.79 PTPRC (0.49) S100A4PTPRCSMN1; SMN2ALDH1A1HPGD
SCHEMBL9684470 0.79 HTR7 (0.46) S100A4TTRPTPRCSMN1; SMN2ALDH1A1
SCHEMBL9685931 0.77 PTPRC (0.47) S100A4TTRPTPRCSMN1; SMN2ALDH1A1
SCHEMBL9684565 0.77 NPC1 (0.45) S100A4TTRPTPRCALDH1A1HPGD
SCHEMBL8502941 0.76 ALDH1A1 (0.55) PDK2SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL29117498 0.71 ELANE (0.55) S100A4TTRPTPRCSMN1; SMN2ALDH1A1
SCHEMBL9423285 0.70 CHEK1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT

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