SCHEMBL12657463

SCHEMBL12657463

CCNc1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 8/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ALPG P10696 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.46
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL12387901 0.86 MAPT (0.47) MAPTLMNA
SCHEMBL8533249 0.86 MAPT (0.47) MAPTLMNA
SCHEMBL12240373 0.82 MAPT (0.42) MAPTLMNAHDAC8
SCHEMBL10104065 0.80 ALDH1A1 (0.46) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12657096 0.80 CHAT (0.44) CHATRAB9AALDH1A1MAPTMEN1
SCHEMBL30612471 0.79 CHAT (0.76) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12657239 0.79 APP (0.59) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL8422585 0.79 LMNA (0.53) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL12657253 0.78 CHAT (0.58) CHATRAB9AALDH1A1KDM4EHPGD
SCHEMBL23373806 0.77 ALDH1A1 (0.44) CHATRAB9AALDH1A1KDM4EHPGD

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
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 EP disclosed