SCHEMBL3673753

SCHEMBL3673753

O=Cc1c(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc2n1C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
LMNA P02545 5/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 4/20 0.60
CYP1A2 P05177 1/20 0.60
TOP2A P11388 1/20 0.60
CYP2C9 P11712 1/20 0.60
TOP2B Q02880 1/20 0.60
BRD4 O60885 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRKD3 O94806 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 1/20 0.44

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
SCHEMBL30866391 0.87 KDM4E (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6703755 0.86 KDM4E (0.62) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL2764444 0.83 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30686874 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30448428 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6863234 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6790985 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6864144 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL6248075 0.78 KDM4E (0.60) ALDH1A1KDM4ELMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL6223889 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10

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-2149374-B1 PHARMACEUTICAL COMPOSITION COMPRISING THE COMBINATON OF THE ANTI-MICROBIAL AGENT CIPROFLOXACIN AND THE ANTIOXIDANT AGENT ASCORBIC ACID FOR THE TREATMENT OF URINARY INFECTIONS WORLD TRADE IMP EXPORT WTIE A G (CH) 2012-10-10 EP disclosed
EP-2149374-A1 PHARMACEUTICAL COMPOSITION COMPRISING THE COMBINATON OF THE ANTI-MICROBIAL AGENT CIPROFLOXACIN AND THE ANTIOXIDANT AGENT ASCORBIC ACID FOR THE TREATMENT OF URINARY INFECTIONS WORLD-TRADE IMPORT-EXPORT, WTIE, A.G. (CH) 2010-02-03 EP disclosed