SCHEMBL9668463

SCHEMBL9668463

CC1(N)CN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3CCF)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 9/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
BRD4 O60885 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 3/20 0.43
RAD52 P43351 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.39

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
SCHEMBL9667763 0.91 KDM4E (0.55) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9667689 0.87 ALDH1A1 (0.72) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL7809358 0.85 ALDH1A1 (0.76) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL10915571 0.83 KDM4E (0.62) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9668111 0.82 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9666671 0.82 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9666639 0.82 LMNA (0.45) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9668000 0.82 LMNA (0.56) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL9218049 0.81 LMNA (0.46) ALDH1A1DRD3KDM4EHPGDHSD17B10
SCHEMBL6211422 0.81 ALDH1A1 (0.49) ALDH1A1DRD3KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0324298-B1 7-(1-AZETIDINYL)-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-12-23 EP claimed