SCHEMBL7869762

SCHEMBL7869762

Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
HSD11B1 P28845 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
SLC6A7 Q99884 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
P4HA1 P13674 1/20 0.42
MIF P14174 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7866478 0.87 MAPK1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7872821 0.85 SMN1; SMN2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869009 0.84 PRKAA2 (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873110 0.82 PRMT5 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873004 0.82 GRM5 (0.56) HSD11B1SMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL7867847 0.82 GAA (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8495364 0.82 ALOX15 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL7866438 0.81 ALOX15 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7868154 0.81 PARP1 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866488 0.81 ADRA2A (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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
US-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 US disclosed
WO-1999058526-A1 NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 1999-11-18 WO disclosed