SCHEMBL9757438

SCHEMBL9757438

CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cc4ccc(N)cc4c3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.58
KDM4E B2RXH2 7/20 0.57
HPGD P15428 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HTT P42858 4/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
BRD4 O60885 1/20 0.57
CYP2J2 P51589 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3CD O00329 3/20 0.51
PIK3R1 P27986 3/20 0.51
PIK3CA P42336 3/20 0.51
PIK3CG P48736 3/20 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
SCHEMBL9757197 0.89 DRD3 (0.64) DRD3KDM4EHPGDALDH1A1HTT
SCHEMBL9757470 0.85 DRD3 (0.56) DRD3KDM4EHPGDALDH1A1HTT
SCHEMBL9757035 0.85 TDP1 (0.57) DRD3KDM4EHPGDALDH1A1HTT
Irloxacin SCHEMBL145215 0.81 DRD3 (0.67) DRD3KDM4EHPGDALDH1A1HTT
SCHEMBL9757443 0.80 DRD3 (0.67) DRD3KDM4EHPGDALDH1A1HTT
Irloxacin SCHEMBL9743690 0.80 DRD3 (0.66) DRD3KDM4EHPGDALDH1A1HTT
Irloxacin SCHEMBL9743701 0.80 DRD3 (0.66) DRD3KDM4EHPGDALDH1A1HTT
SCHEMBL10517283 0.78 DRD3 (0.55) DRD3KDM4EHPGDALDH1A1HTT
7-Amino-Fluoroquinone SCHEMBL10679457 0.78 DRD3 (0.63) DRD3KDM4EHPGDALDH1A1HTT
SCHEMBL10993573 0.78 KDM4E (0.57) DRD3KDM4EHPGDALDH1A1HTT

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed