SCHEMBL8091157

SCHEMBL8091157

O=C(O)c1cn(C23CC(C2)C3)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 6/20 0.42
LMNA P02545 5/20 0.42
HPGD P15428 4/20 0.42
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP2J2 P51589 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9045428 0.84 KMT2A (0.33) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5086541 0.83 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5083273 0.83 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL6662423 0.82 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL8133309 0.82 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5084361 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5083995 0.82 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5086897 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5084153 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5080694 0.81 TOP1 (0.59) KDM4EALDH1A1HSD17B10LMNAHPGD

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
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed