SCHEMBL11064244

SCHEMBL11064244

C=Cn1cc(C(=O)OCC)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
DRD3 P35462 1/20 0.57
GAA P10253 1/20 0.55
RAD52 P43351 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL11070919 0.89 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL11067262 0.86 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL11071273 0.86 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL9431942 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10DRD3
Hydrochloric Acid SCHEMBL11023748 0.85 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL10920758 0.84 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL10471206 0.84 KMT2A (0.73) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29576777 0.83 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL9638922 0.83 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10DRD3
SCHEMBL11406037 0.83 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10DRD3

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
US-4472579-A REACTING A PIPERAZINE WITH A CHLORO QUINOLINECARBOXYLIC ACID ESTER, HYDROLYSIS KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed