SCHEMBL9044496

SCHEMBL9044496

CCn1cc(OC(=O)O)c(=O)c2cc(F)c(N3CC4C=CCC(N)C4C3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 2/20 0.47
BRD4 O60885 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD3 P35462 1/20 0.46
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
GAA P10253 3/20 0.45
RAD52 P43351 1/20 0.44
NPC1 O15118 1/20 0.43
HIF1A Q16665 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 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
SCHEMBL8095031 0.89 DRD3 (0.59) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9047814 0.87 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9046530 0.86 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9046354 0.85 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9047922 0.85 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8134972 0.79 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDLMNA
Hydrochloric Acid SCHEMBL8134989 0.79 TOP1 (0.56) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9046698 0.77 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8091199 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9667763 0.77 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDLMNA

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
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