SCHEMBL3126537

SCHEMBL3126537

O=[N+]([O-])c1cc(F)c(F)nc1NCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
PRKCQ Q04759 2/20 0.47
HTR6 P50406 2/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
EGFR P00533 1/20 0.41
MAP2K4 P45985 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL1329762 0.78 MAPT (0.58) HTTPRKCQHTR6LMNAMEN1
SCHEMBL3019638 0.78 PRKCQ (0.38) HTTPRKCQLMNAL3MBTL1MAPT
SCHEMBL9538744 0.75 TXNRD1 (0.59) HTTPRKCQHTR6LMNAMEN1
SCHEMBL1736587 0.74 NPC1 (0.70) HTTPRKCQLMNAMEN1KMT2A
SCHEMBL15348372 0.74 MAPT (0.50) HTTPRKCQHTR6LMNAMEN1
SCHEMBL2562058 0.74 NTRK1 (0.47) HTTHTR6MEN1KMT2AMAPT
SCHEMBL2562056 0.74 NTRK1 (0.47) HTTHTR6MEN1KMT2AMAPT
SCHEMBL3136036 0.74 ADRB2 (0.37) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL2570152 0.74 ADRB2 (0.37) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL2570151 0.74 ADRB2 (0.37) LMNAMEN1KMT2AL3MBTL1MAPT

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-1853602-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-07-14 EP disclosed