SCHEMBL6206423

SCHEMBL6206423

CCN(CC)CC.S=C(S)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ALOX12 P18054 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALPL P05186 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
IDO1 P14902 1/20 0.50
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL1056090 0.87 ALOX12 (0.68) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL22444398 0.85 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL22444392 0.85 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL22444384 0.85 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL28422489 0.85 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAKMT2A
SCHEMBL11660503 0.83 CA9 (0.45) ALDH1A1GAAMAPTPOLBSMN1; SMN2
SCHEMBL11656755 0.82 ALDH1A1 (0.60) ALDH1A1HPGDGAAKMT2AMAPT
SCHEMBL6206424 0.81 GAA (0.54) L3MBTL1ALOX12ALDH1A1HPGDGAA
SCHEMBL24487128 0.78 ALOX12 (0.67) L3MBTL1ALOX12ALDH1A1HPGDGAA
Piperazine SCHEMBL28818712 0.77 ALOX12 (0.55) ALOX12ALDH1A1HPGDGAAKMT2A

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-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
JP-2000143650-A NEW THIAZOLIDINE DERIVATIVE, ITS PRODUCTION AND USE THEREOF TAKEDA CHEM IND LTD 2000-05-26 JP disclosed