SCHEMBL8366756

SCHEMBL8366756

N#CCCCn1c(CN2C(=O)/C(=N/OCC(F)(F)F)c3ccccc32)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 4/20 0.35
PTK2B Q14289 1/20 0.35
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GRM2 Q14416 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7746108 0.89 TSHR (0.33) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL7745970 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL7745478 0.87 GRM2 (0.41) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL8363973 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL8363907 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL7745971 0.78 TP53 (0.34) ALDH1A1MAPTTSHRPTK2BLMNA
SCHEMBL7745784 0.77 CYP3A4 (0.40) ALDH1A1KDM4EMAPTTSHRPTK2B
SCHEMBL7746216 0.76 MAPT (0.38) ALDH1A1MAPTTSHRPTK2BLMNA
SCHEMBL7746066 0.75 TP53 (0.37) ALDH1A1MAPTTSHRLMNATP53
SCHEMBL7745967 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTSHRPTK2B

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed