SCHEMBL7745967

SCHEMBL7745967

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.38
PTK2B Q14289 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
PPARG P37231 4/20 0.34
GAA P10253 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
SCHEMBL7746299 0.88 TSHR (0.40) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL8363973 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7745970 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7745578 0.85 TSHR (0.41) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7740725 0.77 TSHR (0.45) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7745478 0.75 GRM2 (0.41) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL8366756 0.74 ALDH1A1 (0.38) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7741406 0.74 DRD2 (0.44) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7745936 0.74 TSHR (0.41) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL7748043 0.74 CYP3A4 (0.42) ALDH1A1MAPTLMNAPOLBTSHR

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