SCHEMBL2003969

SCHEMBL2003969

O=C(Br)C(CCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SRC P12931 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNQ2 O43526 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
GSK3B P49841 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL305061 0.83 CYP2C19 (0.57) CYP2C19EPHX1SRCCYP2D6LMNA
SCHEMBL3355940 0.83 CYP2C19 (0.47) CYP2C19EPHX1CES2CES1SRC
SCHEMBL7255213 0.81 CYP2C19 (0.46) CYP2C19EPHX1CES2CES1SRC
SCHEMBL4436342 0.79 CYP2C19 (0.44) CYP2C19EPHX1SRCCYP2D6LMNA
SCHEMBL9717316 0.79 LMNA (0.56) LMNAGAAHSD17B10KCNQ2ALDH1A1
SCHEMBL4677491 0.75 KMT2A (0.58) CYP2C19LMNAKCNQ2ALDH1A1SMN1; SMN2
SCHEMBL8550655 0.73 SMN1; SMN2 (0.54) KDM4EGAASMN1; SMN2
SCHEMBL8507345 0.72 KEAP1 (0.50) EPHX1MAPK1ALDH1A1TRPA1HTT
SCHEMBL909284 0.71 CYP2C19 (0.53) CYP2C19EPHX1SRCCYP2D6LMNA
SCHEMBL11637533 0.71 CYP2C19 (0.44) CYP2C19EPHX1SRCCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed