SCHEMBL4763194

SCHEMBL4763194

CONC(=O)c1ccccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
CTSD P07339 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
STAT3 P40763 1/20 0.38
MAPK1 P28482 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37

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
SCHEMBL791333 0.79 GAA (0.57) KDM4EPOLB
SCHEMBL29402736 0.79 TSHR (0.59) ALDH1A1CFTRHSD17B10LMNATSHR
SCHEMBL29469069 0.79 GAA (0.57) KDM4EPOLB
SCHEMBL129359 0.79 TSHR (0.59) ALDH1A1CFTRHSD17B10LMNATSHR
SCHEMBL692347 0.77 ALDH1A1 (0.66) ALDH1A1CFTRHSD17B10KDM4EMAPK1
SCHEMBL17545031 0.77 LMNA (0.62) ALDH1A1HSD17B10LMNATSHRCA1
SCHEMBL31255734 0.77 GAA (0.37) CTSDALDH1A1ENPP2LMNATSHR
SCHEMBL7126868 0.77 HPGD (0.56) PTGS2ALDH1A1LMNAKMT2AKDM4E
SCHEMBL31255732 0.77 GAA (0.37) CTSDALDH1A1ENPP2LMNATSHR
SCHEMBL27314785 0.77 TSHR (0.57) ALDH1A1CFTRHSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 WO disclosed