SCHEMBL8975764

SCHEMBL8975764

Cn1c2ccc([Sn](C)(C)C)cc2c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.40
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
TNKS O95271 1/20 0.35
PDE10A Q9Y233 6/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL16625723 0.80 MEN1 (0.53) FEN1EGFRSRCTNKSPDE10A
SCHEMBL8976235 0.78 FEN1 (0.42) FEN1EGFRSRCTNKSPDE10A
SCHEMBL280139 0.77 GPR3 (0.58) FEN1EGFRSRCPDE10AL3MBTL1
SCHEMBL16625727 0.76 CCNB2 (0.42) FEN1EGFRSRCPDE10AKDM4E
SCHEMBL18381782 0.75 GPR3 (0.56) FEN1EGFRSRCPDE10AL3MBTL1
SCHEMBL17034477 0.75 DDB1 (0.51) FEN1EGFRSRCHCRTR1NPC1
SCHEMBL1609990 0.74 FEN1 (0.56) FEN1EGFRSRCTNKSL3MBTL1
SCHEMBL19267550 0.72 EGFR (0.38) FEN1EGFRSRCPDE10AMEN1
SCHEMBL8975983 0.72 MAOA (0.43) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL9968131 0.71 RORA (0.39) FEN1PDE10AMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed