SCHEMBL9838708

SCHEMBL9838708

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C4CCC3CC(NC(C)=O)C4)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.57
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 5/20 0.56
HTT P42858 5/20 0.56
LMNA P02545 4/20 0.56
TSHR P16473 2/20 0.56
BRD4 O60885 1/20 0.56
CYP2J2 P51589 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 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
SCHEMBL9750358 0.82 DRD3 (0.66) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9837577 0.82 LMNA (0.58) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9865549 0.79 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10HTT
Binfloxacin SCHEMBL1071552 0.78 DRD3 (0.65) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9749538 0.78 DRD3 (0.71) DRD3KDM4EALDH1A1HPGDHSD17B10
Binfloxacin SCHEMBL9369468 0.77 DRD3 (0.64) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9749182 0.77 DRD3 (0.69) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9670956 0.76 DRD3 (0.63) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9749610 0.76 DRD3 (0.63) DRD3KDM4EALDH1A1HPGDHSD17B10
Binfloxacin SCHEMBL9366957 0.76 KDM4E (0.68) DRD3KDM4EALDH1A1HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed