SCHEMBL9155174

SCHEMBL9155174

Cc1c(N2CCC(NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.63
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KDM4E B2RXH2 8/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 2/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.49
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9158589 0.93 ALDH1A1 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9385607 0.93 ALDH1A1 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9388005 0.93 ALDH1A1 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9152277 0.91 ALDH1A1 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9154014 0.91 ALDH1A1 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9152269 0.91 ALDH1A1 (0.66) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9158722 0.90 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10511902 0.90 ALDH1A1 (0.52) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10591462 0.89 ALDH1A1 (0.63) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10457823 0.88 KDM4E (0.53) KCNH2ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US disclosed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed