SCHEMBL12657241

SCHEMBL12657241

Nc1ccc(/C=C/c2cccc[n+]2CCO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
KDM4A O75164 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
APOBEC3A P31941 1/20 0.47
GFER P55789 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CYP19A1 P11511 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 2/20 0.41
POLB P06746 2/20 0.40
PABPC1 P11940 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
SCHEMBL14393489 0.85 RAB9A (0.47) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL1981105 0.85 RAB9A (0.47) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL1906871 0.85 RAB9A (0.47) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL29620207 0.85 RAB9A (0.47) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL10104233 0.84 RAB9A (0.46) RAB9AMEN1KMT2ANPC1KDM4A
Hydrochloric Acid SCHEMBL11387733 0.84 RAB9A (0.46) RAB9AMEN1KMT2ANPC1KDM4A
Hydrochloric Acid SCHEMBL11387731 0.84 RAB9A (0.46) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL12657103 0.81 RAB9A (0.67) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL12657236 0.81 MEN1 (0.47) RAB9AMEN1KMT2ANPC1KDM4A
SCHEMBL19003852 0.80 MEN1 (0.52) RAB9AMEN1KMT2ANPC1KDM4A

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