SCHEMBL7745970

SCHEMBL7745970

[C-]#[N+]CCCn1c(CN2C(=O)/C(=N/OCC(F)(F)F)c3ccccc32)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 3/20 0.37
PTK2B Q14289 1/20 0.37
MAPT P10636 6/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 2/20 0.33
NPSR1 Q6W5P4 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 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
SCHEMBL7745478 0.88 GRM2 (0.41) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL8366756 0.87 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7745967 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7745578 0.85 TSHR (0.41) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7745784 0.78 CYP3A4 (0.40) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7746108 0.77 TSHR (0.33) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7745936 0.75 TSHR (0.41) ALDH1A1TSHRPTK2BMAPTPOLB
SCHEMBL7748043 0.75 CYP3A4 (0.42) ALDH1A1KDM4ETSHRPTK2BMAPT
SCHEMBL7745732 0.74 TSHR (0.46) ALDH1A1TSHRMAPTPOLBLMNA
SCHEMBL7746299 0.74 TSHR (0.40) ALDH1A1KDM4ETSHRPTK2BMAPT

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