SCHEMBL7841158

SCHEMBL7841158

Cc1c(F)c(N2CC[C@H]3C[C@@H](N)[C@H]3C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.67
HRH3 Q9Y5N1 1/20 0.67
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
TOP2A P11388 3/20 0.43
TOP2B Q02880 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 2/20 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
SCHEMBL7848524 1.00 KCNH2 (0.67) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL7848527 1.00 KCNH2 (0.67) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL7841159 0.87 KCNH2 (0.51) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL8110519 0.87 KCNH2 (0.73) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL7848648 0.84 MEN1 (0.54) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL8923211 0.84 KCNH2 (0.69) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL9066506 0.84 MEN1 (0.54) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL9066510 0.84 MEN1 (0.54) KCNH2HRH3ALDH1A1KDM4EHPGD
SCHEMBL8923208 0.84 KCNH2 (0.69) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL8925880 0.84 KCNH2 (0.69) KCNH2HRH3ALDH1A1KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed
EP-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP disclosed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed