SCHEMBL1400375

SCHEMBL1400375

Nc1ccc(B(O)O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.35
TDO2 P48775 1/20 0.35
AKT2 P31751 1/20 0.35
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
ENPP2 Q13822 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5078534 0.84 ALDH1A1 (0.40) MGLLCA1CA2HSD17B10ALDH1A1
SCHEMBL5220216 0.82 CA2 (0.40) CA2HSD17B10ALDH1A1KMT2AMAPT
SCHEMBL29546125 0.80 HSD17B10 (0.50) HSD17B10ALDH1A1KMT2ABRD4TDO2
SCHEMBL25014 0.80 HSD17B10 (0.50) HSD17B10ALDH1A1KMT2ABRD4TDO2
Water SCHEMBL27969596 0.78 HSD17B10 (0.48) HSD17B10ALDH1A1KMT2ABRD4TDO2
SCHEMBL5527251 0.78 MGLL (0.40) MGLLCA1CA2HSD17B10ALDH1A1
SCHEMBL8321808 0.74 KMT2A (0.44) HSD17B10ALDH1A1KMT2ABRD4TDO2
SCHEMBL27706261 0.72 HSD17B10 (0.52) HSD17B10ALDH1A1KMT2ABRD4MAPT
SCHEMBL25813099 0.72 MAPT (0.57) MGLLCA1CA2HSD17B10ALDH1A1
SCHEMBL297637 0.72 ALDH1A1 (0.48) HSD17B10ALDH1A1KMT2ABRD4TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015015377-A1 QUANTUM DOT DYE-SENSITIZED SOLAR CELL ENI S.P.A. (IT) 2015-02-05 WO disclosed
EP-1680481-B1 NEW COMPOUND CAPABLE OF BEING USED IN ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2011-03-02 EP disclosed
EP-1680481-A4 NEW COMPOUND CAPABLE OF BEING USED IN ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2009-01-07 EP disclosed
US-7427445-B2 Compound capable of being used in organic layer of organic light emitting device LG CHEM, LTD. (KR) 2008-09-23 US disclosed
EP-1680481-A1 NEW COMPOUND CAPABLE OF BEING USED IN ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2006-07-19 EP disclosed
US-20050136287-A1 Compound capable of being used in organic layer of organic light emitting device LG CHEM, LTD. (KR) 2005-06-23 US disclosed
WO-2005042666-A1 NEW COMPOUND CAPABLE OF BEING USED IN ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2005-05-12 WO disclosed