SCHEMBL9479656

SCHEMBL9479656

COc1cc(C#N)ccc1Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
SERPINE1 P05121 3/20 0.41
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
AR P10275 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HTT P42858 2/20 0.40
KCNJ1 P48048 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 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
SCHEMBL9481047 0.82 NPC1 (0.43) HTTKCNJ1PIK3CDPIK3CAPIK3CB
SCHEMBL9479591 0.81 EPHX2 (0.59) HTR7SERPINE1PLGPLAUEPHX2
SCHEMBL8998162 0.80 EPHX2 (0.52) SERPINE1PLGPLAUEPHX2NR1H4
SCHEMBL9478930 0.77 EPHX2 (0.51) HTR7SERPINE1PLGPLAUEPHX2
SCHEMBL6086013 0.74 SERPINE1 (0.54) SERPINE1PLGPLAUHTTALDH1A1
SCHEMBL1666362 0.73 HTT (0.44) HTTKCNJ1MAPTTDP1CA12
SCHEMBL9479548 0.73 EPHX2 (0.48) SERPINE1EPHX2NR1H4HTTHPGD
SCHEMBL9479006 0.73 EPHX2 (0.44) SERPINE1PLGPLAUEPHX2NR1H4
SCHEMBL9478402 0.73 HDAC3 (0.52) EPHX2NR1H4LMNA
SCHEMBL15556148 0.72 HTR7 (0.41) HTR7ARHTTKCNJ1ALDH1A1

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
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed