SCHEMBL7869029

SCHEMBL7869029

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.41
NAMPT P43490 2/20 0.40
PRMT5 O14744 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL7872872 0.95 SCD (0.42) SCDNAMPTPRMT5KMT2AMEN1
SCHEMBL7861544 0.91 NAMPT (0.41) NAMPTPRMT5ALDH1A1RXFP1KDM4E
SCHEMBL7869019 0.91 ADRA2A (0.44) SCDNAMPTPRMT5ALDH1A1KMT2A
SCHEMBL8494125 0.90 SCD (0.43) SCDNAMPTPRMT5KMT2AMEN1
SCHEMBL7866466 0.87 TTK (0.42) SCDPRMT5ALDH1A1KMT2AMEN1
SCHEMBL7873078 0.87 PLA2G1B (0.45) PRMT5ALDH1A1KMT2AMEN1KDM4E
SCHEMBL7869034 0.86 ALDH1A1 (0.54) NAMPTALDH1A1
SCHEMBL7866501 0.85 KCNH2 (0.45) SCDNAMPTPRMT5ALDH1A1KMT2A
SCHEMBL7873041 0.85 PARP1 (0.42) SCDNAMPTPRMT5KDM4EHTT
SCHEMBL7861548 0.85 HCAR3 (0.46) PRMT5ALDH1A1KMT2AMEN1KDM4E

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