SCHEMBL7869751

SCHEMBL7869751

CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCc3ccccn3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.42
PRKAA2 P54646 1/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
PRMT5 O14744 3/20 0.41
MAPK14 Q16539 1/20 0.41
CA2 P00918 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8494726 0.90 ADRA2A (0.44) ALOX15MEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL7869767 0.89 ADRA2A (0.44) ALOX15MEN1KMT2ALMNAKDM4E
SCHEMBL7873099 0.86 PARP1 (0.45) KDM4EPRKAA2PARP1ALDH1A1PRMT5
SCHEMBL7869108 0.86 PRMT5 (0.46) MEN1KMT2ANAMPTPRKAA2PARP1
SCHEMBL8495364 0.85 ALOX15 (0.47) ALOX15MEN1KMT2ALMNAKDM4E
SCHEMBL7868154 0.85 PARP1 (0.46) KDM4EPRKAA2PARP1ALDH1A1L3MBTL1
SCHEMBL7873041 0.85 PARP1 (0.42) KDM4ENAMPTPRKAA2PARP1PRMT5
Hydrochloric Acid SCHEMBL7866438 0.85 ALOX15 (0.46) ALOX15MEN1KMT2ALMNAKDM4E
SCHEMBL8491991 0.84 PARP1 (0.42) KDM4ENAMPTPRKAA2PARP1ALDH1A1
SCHEMBL7873097 0.84 GAA (0.45) KDM4EPRKAA2PARP1ALDH1A1PRMT5

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