SCHEMBL6985601

SCHEMBL6985601

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EPHX1 P07099 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TLR3 O15455 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2472077 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL5275472 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4863606 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2475336 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL6985781 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2471965 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2473015 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL7684277 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869775 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869825 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT

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