SCHEMBL20169558

SCHEMBL20169558

COc1cc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(NC(C)=O)cc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
RECQL P46063 2/20 0.37
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL887561 0.90 ALDH1A1 (0.39) MAPTKMT2APKMALDH1A1HTT
SCHEMBL30887186 0.86 MAPT (0.38) MAPTKMT2APKMALDH1A1HTT
SCHEMBL15229841 0.85 MAPT (0.37) MAPTKMT2APKMALDH1A1HTT
SCHEMBL15229838 0.85 MAPT (0.37) MAPTKMT2APKMALDH1A1HTT
SCHEMBL887528 0.85 HTT (0.39) MAPTKMT2APKMALDH1A1HTT
SCHEMBL15885937 0.82 ALDH1A1 (0.35) MAPTKMT2APKMALDH1A1HTT
SCHEMBL30887129 0.82 MAPT (0.36) MAPTKMT2APKMALDH1A1HTT
SCHEMBL15469249 0.82 MAPT (0.36) MAPTKMT2APKMALDH1A1HTT
SCHEMBL13252790 0.81 RECQL (0.42) MAPTKMT2APKMALDH1A1HTT
SCHEMBL15693769 0.81 MAPT (0.35) MAPTKMT2APKMALDH1A1HTT

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
US-10007165-B2 Electrophoretic fluids MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-9977309-B2 Electrophoretic fluid MERCK PATENT GMBH (DE) 2018-05-22 US disclosed