SCHEMBL1826189

SCHEMBL1826189

CN(CCSc1nccn1C)c1ccc(C=Cc2cc[n+](C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALPG P10696 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 3/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ CHAT P28329 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX12 P18054 1/20 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
SCHEMBL1826188 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL13694979 0.81 KDM4A (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14393557 0.80 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14393719 0.79 KDM4E (0.35) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1828769 0.79 MEN1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1828767 0.79 MEN1 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10104040 0.77 MEN1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL12657289 0.77 MEN1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL15581674 0.76 CHRM2 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL14146585 0.76 MEN1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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 3 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
EP-2004756-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2008-12-24 — — 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
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