SCHEMBL9423239

SCHEMBL9423239

C[Sn](C)(C)c1cc(CO)c2c(c1)-c1ccccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAOA P21397 4/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TTR P02766 3/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9423356 0.78 S100A4 (0.57) MAPTMAOAALDH1A1TTRMAOB
SCHEMBL9683960 0.76 GRK6 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8954279 0.76 PTPRC (0.50) MAPTMEN1KMT2AMAOAAURKA
SCHEMBL9684529 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2AMAOAALDH1A1
SCHEMBL9684783 0.75 MAPT (0.37) MAPTMEN1KMT2AMAOAAURKA
SCHEMBL9685886 0.75 CDC25B (0.42) MAPTMEN1KMT2AMAOAAURKA
SCHEMBL9684787 0.75 SOAT1 (0.39) MAPTMEN1KMT2AMAOAAURKA
SCHEMBL9685937 0.75 MAPT (0.46) MAPTMEN1KMT2AALDH1A1TTR
SCHEMBL5350497 0.74 MAPT (0.52) MAPTMEN1KMT2AMAOAAURKA
SCHEMBL9685946 0.74 KEAP1 (0.51) MAPTMEN1KMT2AALDH1A1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5105679-A None JP disclosed
US-5356889-A Carbapenicillins MERCK & CO., INC. (US) 1994-10-18 US disclosed
JP-H05105679-A 2-(9-FLUORENONYL)-CARBAPENEM ANTIBACTERIAL AGENT MERCK & CO INC 1993-04-27 JP disclosed
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 EP disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5034384-A Bactericides, antibiotics for resistant bacteria MERCK & CO., INC. (US) 1991-07-23 US disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed