SCHEMBL9534442

SCHEMBL9534442

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4=C(C3)C(N)CC4)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.61
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 5/20 0.60
HSD17B10 Q99714 4/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.60
TSHR P16473 2/20 0.60
BRD4 O60885 1/20 0.60
CYP2J2 P51589 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 3/20 0.55
RAD52 P43351 1/20 0.54
HIF1A Q16665 1/20 0.54
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CD O00329 2/20 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
SCHEMBL9535484 0.88 DRD3 (0.59) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9535816 0.85 ALDH1A1 (0.45) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9534341 0.84 KDM4E (0.58) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9535029 0.82 LMNA (0.61) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9537199 0.82 LMNA (0.61) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9844976 0.82 KDM4E (0.74) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9048236 0.80 TOP1 (0.71) DRD3ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL8571733 0.79 TOP1 (0.70) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9757201 0.79 DRD3 (0.74) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9757443 0.79 DRD3 (0.67) DRD3ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed