SCHEMBL2842291

SCHEMBL2842291

O=C(O)c1cc(CBr)ccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
MMP9 P14780 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CDC25B P30305 1/20 0.43
CASP6 P55212 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CFD P00746 1/20 0.41
LCK P06239 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HNF4A P41235 1/20 0.40
LTC4S Q16873 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL19182623 0.85 CES2 (0.40) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL13927507 0.84 KLKB1 (0.62) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL26162696 0.83 CYP4F2 (0.44) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL29687321 0.82 KAT8 (0.45) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL23092123 0.82 KAT8 (0.45) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL2857663 0.82 KLKB1 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL8195388 0.81 ALDH1A1 (0.47) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL10596964 0.81 ALDH1A1 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
Hydrochloric Acid SCHEMBL8125014 0.79 ALDH1A1 (0.46) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6119917 0.79 ALDH1A1 (0.49) ALDH1A1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028428-A1 NEW CYCLODEXTRIN DIMERS AND USES THEREOF AS CHEMICAL SCAVENGERS Centre national de la recherche scientifique (FR) 2022-07-20 EP disclosed
WO-2021048208-A1 NEW CYCLODEXTRIN DIMERS AND USES THEREOF AS CHEMICAL SCAVENGERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-18 WO disclosed
EP-2829539-B1 New pyrrole derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-12-21 EP disclosed
US-9246103-B2 Polymers and oligomers with functionalized side groups MERCK PATENT GMBH (DE) 2016-01-26 US disclosed
WO-2015011400-A1 NOVEL PYRROLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO disclosed
EP-2829539-A1 New pyrrole derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-01-28 EP disclosed
US-20140175421-A1 POLYMERS AND OLIGOMERS WITH FUNCTIONALIZED SIDE GROUPS MERCK PATENT GMBH (DE) 2014-06-26 US disclosed
EP-2737555-A2 POLYMERS AND OLIGOMERS WITH FUNCTIONALIZED SIDE GROUPS Merck Patent GmbH (DE) 2014-06-04 EP disclosed
WO-2013013753-A2 POLYMERS AND OLIGOMERS WITH FUNCTIONALIZED SIDE GROUPS MERCK PATENT GMBH (DE) 2013-01-31 WO disclosed
WO-2010050778-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 WO disclosed
EP-2182040-A2 Aromatic compounds and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 EP disclosed