SCHEMBL14393545

SCHEMBL14393545

CN(CCSc1scc[n+]1C)c1ccc(/C=C/c2cccc[n+]2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.40
▸ MEN1 O00255 9/20 0.40
▸ KMT2A Q03164 9/20 0.40
▸ NPC1 O15118 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ PABPC1 P11940 2/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ APOBEC3A P31941 4/20 0.37
▸ APOBEC3G Q9HC16 4/20 0.37
▸ GFER P55789 4/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM2A Q9Y2K7 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ LMNA P02545 2/20 0.33
▸ THRB P10828 2/20 0.33

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
SCHEMBL14393542 0.88 MEN1 (0.46) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12657258 0.83 RAB9A (0.43) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL10104048 0.83 RAB9A (0.47) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12657382 0.82 KDM4A (0.42) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL14393541 0.82 INSR (0.45) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL13645964 0.81 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL3868953 0.80 RAB9A (0.51) RAB9AMEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL3868958 0.80 RAB9A (0.51) RAB9AMEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL3868960 0.80 RAB9A (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12657257 0.79 APOBEC3A (0.49) RAB9AMEN1KMT2ANPC1MAPT

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
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
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