SCHEMBL7869776

SCHEMBL7869776

CC(C)CNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
GRM5 P41594 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
PRMT5 O14744 3/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
NAMPT P43490 1/20 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
SCHEMBL7868152 0.88 CYP1A2 (0.51) ALDH1A1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL7873110 0.85 PRMT5 (0.46) ALDH1A1PRMT5L3MBTL1HSD11B1NAMPT
SCHEMBL7873013 0.84 PRMT5 (0.47) ALDH1A1PRMT5L3MBTL1NAMPT
SCHEMBL7861475 0.84 ALDH1A1 (0.50) ALDH1A1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL7873004 0.84 GRM5 (0.56) ALDH1A1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL7869108 0.83 PRMT5 (0.46) PRMT5L3MBTL1NAMPT
SCHEMBL8494125 0.78 SCD (0.43) PRMT5L3MBTL1NAMPT
SCHEMBL8711943 0.77 CYP1A2 (0.55) ALDH1A1GRM5CYP1A2CYP2C9CYP2C19
SCHEMBL7872872 0.77 SCD (0.42) PRMT5LMNANAMPT
SCHEMBL7866466 0.76 TTK (0.42) ALDH1A1PRMT5MAPTLMNAL3MBTL1

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