SCHEMBL8093170

SCHEMBL8093170

CCCc1ccc(-c2[c]ccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.49
EIF4A1 P60842 7/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3277951 0.81 APP (0.44) ALDH1A1TSHR
SCHEMBL6321027 0.80 ACHE (0.50) NPBWR1ALDH1A1TSHR
SCHEMBL8072424 0.78 POLB (0.39) NPBWR1ALDH1A1TSHRCYP1A2
SCHEMBL6493292 0.78 CNR1 (0.40) ALDH1A1ALOX5
SCHEMBL11385468 0.77 POLB (0.46) NPBWR1ALDH1A1TSHRALOX5
SCHEMBL5461460 0.77 GABRP (0.46) ALDH1A1TSHRKDM4EALOX5
SCHEMBL14880550 0.77 ALDH1A1 (0.44) NPBWR1ALDH1A1TSHRCYP1A2
SCHEMBL10577172 0.77 HSPB1 (0.42) ALDH1A1TSHRKDM4E
SCHEMBL5096848 0.77 ALDH1A1 (0.47) NPBWR1ALDH1A1TSHR
SCHEMBL9476182 0.77 APP (0.50) NPBWR1ALDH1A1KDM4EALOX5

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
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed