SCHEMBL6206493

SCHEMBL6206493

CSc1ccc2ccccc2[n+]1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.47
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
BCHE P06276 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2335965 0.81 KDM4E (0.39) ACHEKMT2APOLBMEN1MAPT
SCHEMBL30929898 0.71 ACHE (0.47) ACHEKMT2APOLBBCHEMEN1
SCHEMBL1044982 0.71 ACHE (0.47) ACHEKMT2APOLBBCHEMEN1
SCHEMBL4592722 0.70 ACHE (0.49) ACHEKMT2APOLBBCHEMEN1
SCHEMBL21341559 0.70 ACHE (0.46) ACHEKMT2APOLBBCHEMEN1
SCHEMBL10789148 0.70 ACHE (0.46) ACHEKMT2APOLBBCHEMEN1
Hydrochloric Acid SCHEMBL6339464 0.70 ACHE (0.46) ACHEKMT2APOLBBCHEMEN1
SCHEMBL13979479 0.70 ACHE (0.46) ACHEKMT2APOLBBCHEMEN1
Iodide SCHEMBL2031115 0.70 ACHE (0.50) ACHEKMT2APOLBBCHEMEN1
SCHEMBL4622504 0.70 ACHE (0.50) ACHEKMT2APOLBBCHEMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 EP disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 WO disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed