SCHEMBL9647331

SCHEMBL9647331

CCn1cc(OC(=O)O)c(=O)c2cc(F)c(N3CCC(CN)C3)c(F)c21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PMP22 Q01453 1/20 0.53
TOP1 P11387 8/20 0.51

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
SCHEMBL9378598 0.89 KDM4E (0.52) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10443590 0.89 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8122690 0.88 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9070334 0.88 KDM4E (0.69) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9380356 0.87 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9689905 0.86 KDM4E (0.53) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9688991 0.86 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8131737 0.86 KCNH2 (0.66) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9691045 0.86 KDM4E (0.52) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10620922 0.86 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDHSD17B10

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-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP claimed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP claimed