SCHEMBL12657264

SCHEMBL12657264

Cn1cc[n+](C)c1SCCNc1ccc(/C=C/c2cccc[n+]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
PABPC1 P11940 3/20 0.41
EIF4H Q15056 1/20 0.41
POLB P06746 5/20 0.36
KMT2A Q03164 7/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 4/20 0.35
APOBEC3G Q9HC16 4/20 0.35
MEN1 O00255 5/20 0.34
CTDSP1 Q9GZU7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 3/20 0.32
CHAT P28329 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GFER P55789 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL14393536 0.88 RAB9A (0.35) RAB9APOLBKMT2AAPOBEC3AAPOBEC3G
SCHEMBL14393543 0.82 RAB9A (0.46) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393550 0.82 RAB9A (0.38) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL10104052 0.81 RAB9A (0.50) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393556 0.81 RAB9A (0.42) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393539 0.77 APOBEC3A (0.47) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393712 0.76 RAB9A (0.36) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL16070410 0.74 RAB9A (0.41) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393535 0.74 CHAT (0.46) RAB9APABPC1EIF4HPOLBKMT2A
SCHEMBL14393736 0.73

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 2 patents. 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
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO disclosed