SCHEMBL7873078

SCHEMBL7873078

COC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NCC(C)C)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL7866466 0.91 TTK (0.42) PLA2G1BATG4BKMT2AMEN1L3MBTL1
SCHEMBL7861548 0.91 HCAR3 (0.46) KMT2AMEN1L3MBTL1KDM4EPRKAB2
SCHEMBL7868110 0.90 PARP1 (0.47) PLA2G1BATG4BMAPK1KMT2ANPC1
SCHEMBL7872872 0.89 SCD (0.42) KMT2AMEN1PRKAB2PRKAG1PRKAA2
SCHEMBL7861556 0.88 PLA2G1B (0.49) PLA2G1BATG4BMAPK1KMT2ANPC1
SCHEMBL7869029 0.87 SCD (0.41) KMT2AMEN1L3MBTL1KDM4EPRKAB2
SCHEMBL8494125 0.86 SCD (0.43) KMT2AMEN1L3MBTL1KDM4EPRKAB2
SCHEMBL8495212 0.85 NR0B1 (0.40) NPC1RAB9AKDM4EPRKAB2PRKAG1
SCHEMBL7868092 0.85 DGAT2 (0.38) KMT2AMEN1L3MBTL1PRKAB2PRKAG1
SCHEMBL7869108 0.84 PRMT5 (0.46) KMT2AMEN1L3MBTL1PRKAB2PRKAG1

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