SCHEMBL1823602

SCHEMBL1823602

C[n+]1c(C=Cc2ccccc2NCCSSCCNc2ccccc2C=Cc2ccc3ccccc3[n+]2C)ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 4/20 0.47
BCHE P06276 8/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1823599 1.00 ACHE (0.50) ACHEKMT2AMEN1POLBBCHE
SCHEMBL10104149 0.76 ACHE (0.48) ACHEKMT2AMEN1POLBBCHE
SCHEMBL10104138 0.73 KDM4E (0.45) KMT2AMEN1POLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10347873 0.72 ACHE (0.59) ACHEKMT2AMEN1POLBBCHE
SCHEMBL10104139 0.69 APOBEC3A (0.45) KMT2AMEN1NPC1RAB9AKDM4E
Perchlorate SCHEMBL4882628 0.69 ACHE (0.58) ACHEKMT2AMEN1POLBBCHE
Perchlorate SCHEMBL4882609 0.69 ACHE (0.58) ACHEKMT2AMEN1POLBBCHE
SCHEMBL17068068 0.68 ACHE (0.67) ACHEKMT2AMEN1POLBBCHE
SCHEMBL10313109 0.67 KMT2A (0.41) ACHEKMT2AMEN1POLBBCHE
SCHEMBL1827032 0.67 LMNA (0.43) ACHEKMT2AMEN1BCHEMAPT

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