SCHEMBL6166248

SCHEMBL6166248

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C(O)C2NCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABCB1 P08183 3/20 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
SCHEMBL6166243 1.00 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTALDH1A1
SCHEMBL6166252 1.00 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTALDH1A1
SCHEMBL6167716 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTALDH1A1
SCHEMBL6167712 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTALDH1A1
SCHEMBL6167720 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTALDH1A1
SCHEMBL6172081 0.88 KCNH2 (0.53) KCNH2MAPTMEN1KMT2AKCNA5
SCHEMBL6172086 0.88 KCNH2 (0.53) KCNH2MAPTMEN1KMT2AKCNA5
SCHEMBL6172074 0.88 KCNH2 (0.53) KCNH2MAPTMEN1KMT2AKCNA5
SCHEMBL6165735 0.87 KCNH2 (0.52) KCNH2MAPTALDH1A1MEN1LMNA
SCHEMBL6165727 0.87 KCNH2 (0.52) KCNH2MAPTALDH1A1MEN1LMNA

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-1212314-B1 BENZOPYRAN DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2005-11-30 EP disclosed
US-6589983-B1 Antiarrhythmic agents having the prolongation effect on the functional refractory period as a main function NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed