SCHEMBL6206424

SCHEMBL6206424

CCN(CC)CC.NC(O)=S.OC(=S)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALOX12 P18054 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
ALPL P05186 1/20 0.50
MEN1 O00255 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
IDO1 P14902 1/20 0.49
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL1056093 0.88 ALOX12 (0.65) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL28422492 0.86 ALOX12 (0.63) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL22444396 0.86 ALOX12 (0.63) GAAALOX12ALDH1A1HPGDKMT2A
Methane SCHEMBL9754014 0.86 ALOX12 (0.63) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL9754125 0.86 ALOX12 (0.63) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL8847588 0.82 ALOX12 (0.74) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL6206423 0.81 L3MBTL1 (0.55) GAAL3MBTL1ALOX12ALDH1A1HPGD
Piperazine SCHEMBL28818715 0.78 ALOX12 (0.53) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL11751070 0.77 POLB (0.53) GAAALOX12ALDH1A1HPGDKMT2A
SCHEMBL11752755 0.77 KMT2A (0.57) GAAALDH1A1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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