SCHEMBL7008949

SCHEMBL7008949

O=C(O)c1cn(CCF)c2cc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.46
DRD3 P35462 1/20 0.46
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
BRD4 O60885 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TOP1 P11387 9/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL7015354 0.90 HPGD (0.56) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL7010024 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL7006628 0.82 TOP2A (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7017453 0.82 LMNA (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7005857 0.82 KDM4E (0.56) ALDH1A1KDM4EDRD3HPGDHSD17B10
Bromide SCHEMBL7012863 0.82 TOP2A (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7013592 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7008289 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL8323622 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7010109 0.81 LMNA (0.46) ALDH1A1KDM4EDRD3HPGDHSD17B10

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
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed