SCHEMBL6983916

SCHEMBL6983916

COC(OC)C1(C)Oc2ccc([N+](=O)[O-])cc2C(N)C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
HTT P42858 4/20 0.36
TLR3 O15455 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ABCC9 O60706 2/20 0.34
PKM P14618 1/20 0.34
CACNA1C Q13936 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL7964272 1.00 AKR1B1 (0.38) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL7952174 1.00 AKR1B1 (0.38) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL7964237 1.00 AKR1B1 (0.38) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL7963402 1.00 AKR1B1 (0.38) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL7961733 0.87 AKR1B1 (0.39) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL27498777 0.87 AKR1B1 (0.39) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL9202362 0.83 AKR1B1 (0.38) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL9195025 0.81 ABCC9 (0.44) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL9195034 0.81 ABCC9 (0.44) AKR1B1HTTTLR3TDP1MAPT
SCHEMBL9195046 0.81 ABCC9 (0.44) AKR1B1HTTTLR3TDP1MAPT

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-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
CN-1382134-A Benzopyranyl guanidine derivtives, process for preparation thereof and pharmaceutical compositions containing them KOREA RES INST CHEM TECH (KR) 2002-11-27 CN disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed