SCHEMBL9110385

SCHEMBL9110385

COC(=O)C(C)(C)Nc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
HTT P42858 2/20 0.49
MERTK Q12866 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
FGFR4 P22455 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.41
CYP2C19 P33261 2/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 3/20 0.39
LATS1 O95835 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9110118 0.84 TXNRD1 (0.46) MAPTHTTNPSR1
SCHEMBL21522837 0.82 MAPT (0.55) MAPTHTTMERTKNPSR1FGFR4
SCHEMBL21492056 0.81 PIN1 (0.49) NPSR1CYP2C19POLBCNR2LATS1
SCHEMBL31515714 0.79 MAPT (0.59) MAPTHTTMERTKFGFR4RPS6KB2
SCHEMBL3486254 0.77 MAPT (0.57) MAPTHTTMERTKNPSR1FGFR4
SCHEMBL10697630 0.76 MAPT (0.55) MAPTHTTMERTKNPSR1FGFR4
SCHEMBL10697343 0.75 MAPT (0.73) MAPTHTTMERTKFGFR4RPS6KB2
SCHEMBL8882680 0.75 L3MBTL1 (0.48) MAPTHTTNPSR1TDP1L3MBTL1
SCHEMBL5099519 0.75 MAPT (0.61) MAPTHTTMERTKNPSR1FGFR4
SCHEMBL9110706 0.74 MAPT (0.65) MAPTHTTMERTKFGFR4RPS6KB2

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
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed