SCHEMBL7873110

SCHEMBL7873110

CC(C)CNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3N)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.46
NAMPT P43490 2/20 0.43
SCD O00767 2/20 0.42
PRKAA2 P54646 3/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD11B1 P28845 1/20 0.39
CHIA Q9BZP6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7873013 0.88 PRMT5 (0.47) PRMT5NAMPTSCDPRKAA2PRKAB2
SCHEMBL7872821 0.87 SMN1; SMN2 (0.43) PRMT5PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7869009 0.86 PRKAA2 (0.44) PRMT5SCDPRKAA2PRKAB2PRKAG1
SCHEMBL7869108 0.86 PRMT5 (0.46) PRMT5NAMPTSCDPRKAA2PRKAB2
SCHEMBL7869776 0.85 ALDH1A1 (0.47) PRMT5NAMPTL3MBTL1HSD11B1ALDH1A1
SCHEMBL8495364 0.84 ALOX15 (0.47) PRMT5NAMPTPRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7866438 0.83 ALOX15 (0.46) PRMT5NAMPTPRKAA2PRKAB2PRKAG1
SCHEMBL7866478 0.83 MAPK1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869762 0.82 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8491403 0.82 KMT2A (0.43) PRMT5PRKAA2PRKAB2PRKAG1PRKAA1

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