SCHEMBL30323286

SCHEMBL30323286

COc1c2c(cc(F)c1N1C[C@@H]3CCCN[C@@H]3C1)C(=O)C(C(=O)O)C(C1CC1)=N2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNH2 Q12809 3/20 0.35
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
HTR3A P46098 1/20 0.31

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
SCHEMBL19807107 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29388103 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8741038 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2226707 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL5945948 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7615094 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL12282726 0.72 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL25015227 0.70 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL24007 0.70 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1
Moxifloxacin SCHEMBL12156451 0.70 KDM4E (0.98) KDM4EALDH1A1HPGDHSD17B10MEN1

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-4164626-A1 COMBINATION ANTIBACTERIAL COMPOSITION AND METHOD FOR ANTIBACTERIAL THERAPY Mylan Laboratories Ltd. (IN) 2023-04-19 EP disclosed
EP-4164645-A1 COMBINATION ANTIBACTERIAL COMPOSITION AND METHOD FOR ANTIBACTERIAL THERAPY The Global Alliance for TB Drug Development, Inc. (US) 2023-04-19 EP disclosed