SCHEMBL9044779

SCHEMBL9044779

CCOC(=O)NC1CC=CC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(CC)c4c3F)CC21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 6/20 0.43
PMP22 Q01453 1/20 0.42
CYP2C19 P33261 1/20 0.33
STAT3 P40763 1/20 0.31
ADRB2 P07550 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRD4 O60885 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CYP2J2 P51589 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8084270 0.91 HSD17B10 (0.53) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9048740 0.90 ADRB2 (0.40) KDM4EHPGDHSD17B10ALDH1A1ADRB2
SCHEMBL9043731 0.88 KDM4E (0.33) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9046354 0.87 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1BRD4
SCHEMBL9047922 0.86 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9046791 0.85 ALDH1A1 (0.43) KDM4EHPGDHSD17B10ALDH1A1ADRB2
SCHEMBL8906725 0.84 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1CYP2C19
SCHEMBL9047030 0.84 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9095828 0.82 KCNH2 (0.48) KDM4EHPGDHSD17B10ALDH1A1ADRB2
SCHEMBL8091409 0.81 KDM4E (0.40) KDM4EHPGDHSD17B10ALDH1A1PMP22

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