SCHEMBL12657237

SCHEMBL12657237

C[n+]1ccccc1/C=C/c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
PABPC1 P11940 2/20 0.48
EIF4H Q15056 1/20 0.48
HTT P42858 1/20 0.47
POLB P06746 3/20 0.45
GAA P10253 1/20 0.43
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CHAT P28329 2/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL12657253 0.85 CHAT (0.58) RAB9AHTTPOLBAPOBEC3AAPOBEC3G
SCHEMBL10104052 0.80 RAB9A (0.50) RAB9APABPC1EIF4HHTTPOLB
SCHEMBL13679823 0.79 RAB9A (0.56) RAB9APABPC1EIF4HPOLBGAA
SCHEMBL13892896 0.79 RAB9A (0.56) RAB9APABPC1EIF4HPOLBGAA
SCHEMBL14393493 0.79 KDM4A (0.41) RAB9AHTTAPOBEC3AAPOBEC3GKMT2A
SCHEMBL7994350 0.78 CHAT (0.63) RAB9APABPC1EIF4HGAAAPOBEC3A
SCHEMBL29620211 0.78 CHAT (0.63) RAB9APABPC1EIF4HGAAAPOBEC3A
Iodide SCHEMBL8910694 0.77 CHAT (0.64) RAB9APABPC1EIF4HGAAAPOBEC3A
SCHEMBL16093386 0.76 HTT (0.59) HTTKMT2AMEN1MAOAMAOB
SCHEMBL14393543 0.76 RAB9A (0.46) RAB9APABPC1EIF4HHTTPOLB

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