SCHEMBL14393541

SCHEMBL14393541

CN(CCSc1sc2ccccc2[n+]1C)c1ccc(/C=C/c2cccc[n+]2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 8/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 6/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL14393718 0.90 INSR (0.48) INSRMEN1KMT2ARAB9AMAPT
SCHEMBL14393735 0.85 INSR (0.48) INSRMEN1KMT2ARAB9AMAPT
SCHEMBL14393545 0.82 RAB9A (0.40) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL12657258 0.81 RAB9A (0.43) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL10104048 0.80 RAB9A (0.47) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL14393551 0.79 MEN1 (0.43) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL13645964 0.79 RAB9A (0.52) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL14393540 0.78 MEN1 (0.43) MEN1KMT2ARAB9AMAPTHTT
Hydrochloric Acid SCHEMBL3868960 0.78 RAB9A (0.51) MEN1KMT2ARAB9AMAPTHTT
Hydrochloric Acid SCHEMBL3868953 0.78 RAB9A (0.51) MEN1KMT2ARAB9AMAPTHTT

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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