SCHEMBL7724076

SCHEMBL7724076

Cc1oc(-c2cccs2)nc1CCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 9/20 0.48
HPGD P15428 5/20 0.48
MAPT P10636 6/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
HSD17B10 Q99714 4/20 0.47
PPARD Q03181 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL13633782 0.87 HSD17B10 (0.53) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL5228001 0.85 ALDH1A1 (0.52) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL13633793 0.83 KDM4E (0.54) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL12522017 0.82 KDM4E (0.53) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL4028821 0.82 KDM4E (0.53) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL1051606 0.82 KDM4E (0.53) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL12447266 0.78 ALDH1A1 (0.53) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL5103108 0.78 KDM4E (0.50) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL5800641 0.78 KDM4E (0.50) KDM4EMEN1POLBKMT2ANPSR1
SCHEMBL12442798 0.78 PPARA (0.64) KDM4EALDH1A1HPGDMAPTPPARA

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-0700397-B1 NEW THIAZOLIDINDIONES AND DRUGS CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 2002-09-04 EP disclosed
US-5599826-A ANTIDIABETIC AGENT BOEHRINGER MANNHEIM GMBH (DE) 1997-02-04 US disclosed
EP-0700397-A1 NEW THIAZOLIDINDIONES AND DRUGS CONTAINING THEM Roche Diagnostics GmbH (DE) 1996-03-13 EP disclosed
WO-1994027995-A1 NEW THIAZOLIDINDIONES AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO disclosed