SCHEMBL5469309

SCHEMBL5469309

NCCc1ncccc1S[S]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.41
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH2 P25021 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP2A6 P11509 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2A P28223 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL13095176 0.85 HRH1 (0.44) HRH1CHRNA7ALDH1A1L3MBTL1LOXL2
SCHEMBL3078710 0.77 HTR2A (0.39) HRH1CHRNA7ALDH1A1L3MBTL1KDM4E
SCHEMBL3888983 0.72 HRH1 (0.47) HRH1CHRNA7ALDH1A1L3MBTL1LOXL2
SCHEMBL28126688 0.72 HRH1 (0.47) HRH1CHRNA7ALDH1A1L3MBTL1LOXL2
SCHEMBL8346110 0.72 HRH1 (0.47) HRH1CHRNA7ALDH1A1L3MBTL1LOXL2
SCHEMBL3082743 0.71 HRH1 (0.46) HRH1CHRNA7HRH4HRH3CYP2A6
SCHEMBL3068254 0.71 HRH1 (0.45) HRH1CHRNA7ALDH1A1L3MBTL1LOXL2
SCHEMBL30839509 0.71 NOS3 (0.48) HRH1CHRNA7ALDH1A1L3MBTL1HRH2
SCHEMBL701433 0.71 NOS3 (0.48) HRH1CHRNA7ALDH1A1L3MBTL1HRH2
Hydrochloric Acid SCHEMBL30818111 0.69 TAAR1 (0.47) HRH1CHRNA7ALDH1A1L3MBTL1KDM4E

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-20070148721-A1 Compositions, methods, systems, and kits for affinity purification AGILENT TECHNOLOGIES, INC. (US) 2007-06-28 US disclosed