SCHEMBL9685976

SCHEMBL9685976

CNC(=O)c1cc([Sn](C)(C)C)cc2c1C(=O)c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
TTR P02766 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP14 P50281 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9684465 0.83 MAPT (0.51) MAPTALDH1A1LMNAHTTFGFR1
SCHEMBL9683960 0.83 GRK6 (0.49) MAPTALDH1A1LMNAHTTFGFR1
SCHEMBL9685946 0.81 KEAP1 (0.51) MAPTALDH1A1LMNAHTTTTR
SCHEMBL18463232 0.77 MAPT (0.69) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9423239 0.74 MAPT (0.38) MAPTALDH1A1CYP3A4LMNAHTT
SCHEMBL9684529 0.71 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL9685886 0.71 CDC25B (0.42) MAPTALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL9684787 0.71 SOAT1 (0.39) MAPTALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL9684783 0.71 MAPT (0.37) MAPTALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL10823593 0.69 MAPT (0.68) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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