SCHEMBL10738656

SCHEMBL10738656

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(O)CC3)cc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.84
HSD17B10 Q99714 3/20 0.79
KDM4E B2RXH2 6/20 0.78
ALDH1A1 P00352 5/20 0.78
HPGD P15428 4/20 0.78
HTT P42858 4/20 0.78
LMNA P02545 2/20 0.78
TSHR P16473 2/20 0.78
BRD4 O60885 1/20 0.78
CYP2J2 P51589 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
NPC1 O15118 1/20 0.76
HIF1A Q16665 1/20 0.71
USP2 O75604 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PIK3CD O00329 2/20 0.66
PIK3R1 P27986 2/20 0.66
PIK3CA P42336 2/20 0.66

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
Pefloxacin SCHEMBL28251251 0.91 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HPGD
SCHEMBL7824014 0.91 DRD3 (0.84) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL34292 0.91 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL29351730 0.91 DRD3 (1.00) DRD3HSD17B10KDM4EALDH1A1HPGD
SCHEMBL11022977 0.91 DRD3 (0.83) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL10911017 0.90 DRD3 (0.98) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL9788090 0.90 DRD3 (0.98) DRD3HSD17B10KDM4EALDH1A1HPGD
SCHEMBL22698592 0.90 HSD17B10 (0.84) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL8184732 0.90 DRD3 (0.98) DRD3HSD17B10KDM4EALDH1A1HPGD
Pefloxacin SCHEMBL9800276 0.90 DRD3 (0.98) DRD3HSD17B10KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62174055-A None JP disclosed
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 WO disclosed
US-4686221-A Quinolinecarboxylic acid compounds and antimicrobial agent containing the same KANEBO, LTD. (JP) 1987-08-11 US disclosed
JP-S62174055-A NOVEL QUINOLINECARBOXYLIC ACID DERIVATIVE AND ANTI-BACTERIAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT KANEBO LTD 1987-07-30 JP disclosed
EP-0220523-A2 Novel quinolinecarboxylic acid compounds, processes for preparing them, pharmaceutical composition and use KANEBO, LTD. (JP) 1987-05-06 EP disclosed