SCHEMBL10690023

SCHEMBL10690023

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(C)C(CN)C3)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.64
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 5/20 0.63
HSD17B10 Q99714 4/20 0.63
HPGD P15428 4/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.63
BRD4 O60885 1/20 0.63
CYP2J2 P51589 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
NPC1 O15118 1/20 0.59
HIF1A Q16665 1/20 0.56
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 3/20 0.55
PIK3CD O00329 2/20 0.54
PIK3R1 P27986 2/20 0.54

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
SCHEMBL10688010 0.88 DRD3 (0.67) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10688019 0.88 DRD3 (0.67) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10688024 0.88 DRD3 (0.67) DRD3ALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL10879015 0.83 KDM4E (0.70) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10621421 0.83 TOP1 (0.72) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10686208 0.83 KDM4E (0.66) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9749226 0.82 KDM4E (0.71) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10618744 0.82 DRD3 (0.76) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9749538 0.81 DRD3 (0.71) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10621378 0.81 ALDH1A1 (0.73) DRD3ALDH1A1KDM4EHSD17B10HPGD

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
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed