SCHEMBL9684734

SCHEMBL9684734

C[Sn](C)(C)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c2c(c1)-c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL9684748 0.85 RAB9A (0.54) RAB9AL3MBTL1SMN1; SMN2POLBHTT
SCHEMBL9683933 0.77 MAPT (0.54) RAB9ASMN1; SMN2POLBHTTALDH1A1
SCHEMBL9683945 0.76 MAPT (0.54) RAB9ASMN1; SMN2POLBHTTALDH1A1
SCHEMBL9684465 0.75 MAPT (0.51) SMN1; SMN2HTTALDH1A1NPC1KMT2A
SCHEMBL10600006 0.74 RAB9A (0.81) RAB9AL3MBTL1SMN1; SMN2POLBHTT
SCHEMBL9683960 0.70 GRK6 (0.49) L3MBTL1POLBHTTALDH1A1NPC1
SCHEMBL13986150 0.69 RAB9A (0.52) RAB9AL3MBTL1SMN1; SMN2POLBHTT
SCHEMBL9685946 0.68 KEAP1 (0.51) RAB9AL3MBTL1SMN1; SMN2POLBHTT
SCHEMBL10490777 0.68 RAB9A (1.00) RAB9AL3MBTL1SMN1; SMN2POLBHTT
SCHEMBL20695012 0.68 RAB9A (0.60) RAB9AL3MBTL1POLBHTTALDH1A1

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