SCHEMBL7866478

SCHEMBL7866478

COC(=O)c1ccc(C(=O)N2CCN(c3ncccc3N)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RY12 Q9H244 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
HSD11B1 P28845 2/20 0.41
SLC6A7 Q99884 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL8709573 0.88 SLC6A7 (0.50) MAPK1L3MBTL1KDM4EKMT2AHSD11B1
SCHEMBL7872821 0.88 SMN1; SMN2 (0.43) L3MBTL1KDM4EPLA2G1BATG4BKMT2A
SCHEMBL7869762 0.87 PRKAA2 (0.47) MAPK1L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL8491403 0.85 KMT2A (0.43) KDM4EKMT2ASMN1; SMN2PRKAB2PRKAG1
SCHEMBL7861556 0.84 PLA2G1B (0.49) MAPK1L3MBTL1KDM4EPLA2G1BATG4B
SCHEMBL7868110 0.84 PARP1 (0.47) MAPK1L3MBTL1KDM4EPLA2G1BATG4B
SCHEMBL7861475 0.84 ALDH1A1 (0.50) MAPK1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL7873110 0.83 PRMT5 (0.46) L3MBTL1KDM4EKMT2ASMN1; SMN2PRKAB2
SCHEMBL7869009 0.82 PRKAA2 (0.44) L3MBTL1KDM4ESMN1; SMN2PRKAB2PRKAG1
SCHEMBL7867847 0.82 GAA (0.41) L3MBTL1KDM4ESMN1; SMN2PRKAB2PRKAG1

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