SCHEMBL14993458

SCHEMBL14993458

Nc1nc(F)cc(NCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
L3MBTL1 Q9Y468 3/20 0.55
CYP1A2 P05177 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 3/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
BLM P54132 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 1/20 0.47
HTR6 P50406 1/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL27755521 0.84 MAPT (0.56) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL8921373 0.77 HTT (0.64) MAPTCYP1A2KMT2ALMNAMAPK1
SCHEMBL13327491 0.75 MAPK1 (0.50) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL13407309 0.74 MAPT (0.59) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL18152629 0.74 HTR6 (0.49) MAPTL3MBTL1CYP1A2KMT2ALMNA
Hydrochloric Acid SCHEMBL11240759 0.74 MAPT (0.54) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL16486521 0.74 MAPT (0.49) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL1871546 0.74 MAPT (0.49) MAPTCYP1A2KMT2ALMNAMAPK1
SCHEMBL8563517 0.73 MAPT (0.61) MAPTL3MBTL1CYP1A2KMT2ALMNA
SCHEMBL12164325 0.73 MAPT (0.57) MAPTL3MBTL1CYP1A2KMT2ALMNA

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
CN-103333103-B Method for preparing flupirtine maleate by one-pot method NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD 2015-07-22 CN disclosed
WO-2013080215-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF FLUPIRTINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2013-06-06 WO disclosed