SCHEMBL5047709

SCHEMBL5047709

CCCOc1ccc(B(O)O)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LTA4H P09960 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3781052 0.93 TSHR (0.46) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL3792474 0.86 MAPT (0.49) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL3785690 0.86 MEN1 (0.51) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL29955341 0.81 LTA4H (0.44) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL29956792 0.81 PTGS1 (0.46) MAPTLTA4HKMT2AMEN1CA12
SCHEMBL3783765 0.81 LTA4H (0.44) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL4048727 0.81 PTGS1 (0.46) MAPTLTA4HKMT2AMEN1CA12
SCHEMBL30167072 0.80 MAPT (0.60) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL11246033 0.80 MAPT (0.60) MAPTLTA4HKMT2AMEN1KDM4E
SCHEMBL3781210 0.79 RAB9A (0.46) MAPTLTA4HKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed