SCHEMBL13615223

SCHEMBL13615223

Cc1ccc2cc(/C=C/c3cc[n+](C)cc3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
GLA P06280 1/20 0.72
CHAT P28329 7/20 0.53
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
USP2 O75604 3/20 0.50
NPC1 O15118 2/20 0.50
GPR55 Q9Y2T6 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GFER P55789 2/20 0.49
APOBEC3A P31941 2/20 0.49
POLB P06746 1/20 0.48
NOD2 Q9HC29 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL18383563 0.91 ALDH1A1 (0.85) ALDH1A1MAPTSMN1; SMN2GLACHAT
SCHEMBL18383564 0.87 ALDH1A1 (0.79) ALDH1A1MAPTSMN1; SMN2GLACHAT
SCHEMBL12364526 0.82 CHAT (0.64) ALDH1A1MAPTSMN1; SMN2GLACHAT
SCHEMBL12364525 0.82 CHAT (0.64) ALDH1A1MAPTSMN1; SMN2GLACHAT
Iodide SCHEMBL1804720 0.82 ALDH1A1 (0.96) ALDH1A1MAPTSMN1; SMN2GLACHAT
Iodide SCHEMBL1804717 0.82 ALDH1A1 (0.96) ALDH1A1MAPTSMN1; SMN2GLACHAT
SCHEMBL13964870 0.81 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2GLACHAT
Iodide SCHEMBL1804181 0.79 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2GLACHAT
Iodide SCHEMBL1804188 0.79 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2GLACHAT
SCHEMBL30612471 0.78 CHAT (0.76) ALDH1A1MAPTSMN1; SMN2GLACHAT

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-7611863-B2 Selective staining of biomembranes using voltage-sensitive dyes MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-11-03 US disclosed