SCHEMBL9685931

SCHEMBL9685931

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.47
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
S100A4 P26447 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA4 P22748 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL9684489 0.97 PTPRC (0.49) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL31065274 0.88 PTPRC (0.57) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL25260739 0.88 PTPRC (0.57) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL11846453 0.84 PTPRC (0.60) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL13550874 0.84 PTPRC (0.60) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL9769408 0.84 PTPRC (0.60) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL9769488 0.84 PTPRC (0.60) PTPRCCASP3SMN1; SMN2ALDH1A1ATM
SCHEMBL9684565 0.83 NPC1 (0.45) PTPRCALDH1A1ATMMAPTNPC1
SCHEMBL9684470 0.82 HTR7 (0.46) PTPRCSMN1; SMN2ALDH1A1ATMMAPT
SCHEMBL26120300 0.82 S100A4 (0.62) PTPRCCASP3SMN1; SMN2ALDH1A1PTGS2

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