SCHEMBL6987633

SCHEMBL6987633

COC[C@@]1(C)Oc2ccc([N+](=O)[O-])cc2C2OC21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
AKR1B1 P15121 2/20 0.37
TLR3 O15455 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
CACNA1C Q13936 1/20 0.34
KMT2A Q03164 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 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
SCHEMBL4846177 1.00 HTT (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL4873736 1.00 HTT (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL4873739 1.00 HTT (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL8536317 0.88 MAPT (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL8536503 0.88 MAPT (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL9767087 0.86 AKR1B1 (0.39) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL6985760 0.85 AKR1B1 (0.40) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL2475336 0.81 AKR1B1 (0.37) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL7965091 0.81 TLR3 (0.40) HTTMAPTSMN1; SMN2LMNAAKR1B1
SCHEMBL6985601 0.81 AKR1B1 (0.37) HTTMAPTSMN1; SMN2LMNAAKR1B1

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
CN-1229371-C Benzopyran guanidine derivatives, process for preparing the same, and pharmaceutical composition thereof KOREA RES INST CHEM TECH (KR) 2005-11-30 CN disclosed
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 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
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed