SCHEMBL7754855

SCHEMBL7754855

CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAOB P27338 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL8393177 0.86 TLR9 (0.51) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL10632279 0.86 PTGES (0.52) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL10632277 0.86 PTGES (0.52) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL7756152 0.79 CYP1A2 (0.56) MAPTALDH1A1KMT2APOLBHTT
SCHEMBL429369 0.79 ALDH1A1 (0.47) MAPTALDH1A1LMNANPSR1POLB
SCHEMBL16959289 0.79 MAPT (0.54) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL5578163 0.78 ALDH1A1 (0.51) MAPTALDH1A1LMNANPSR1MAOB
SCHEMBL24215128 0.78 MAPT (0.47) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL4998777 0.77 MAPT (0.56) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16955204 0.76 MAPT (0.54) MAPTALDH1A1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777650-B1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-03-07 EP disclosed
US-5817833-A Biphenylamide compounds as 5HT1D Antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-10-06 US disclosed
EP-0777650-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-06-11 EP disclosed
WO-1996006079-A1 BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-02-29 WO disclosed