SCHEMBL7009879

SCHEMBL7009879

CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc4c(c3)CN(C)C4)c(OC)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 7/20 0.45
TOP1 P11387 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
PMP22 Q01453 1/20 0.42
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7009430 0.93 KDM4E (0.53) DRD3KDM4ETOP1ALDH1A1TOP2A
SCHEMBL7010782 0.91 KDM4E (0.45) DRD3KDM4ETOP1ALDH1A1HPGD
SCHEMBL7015765 0.91 DRD3 (0.44) DRD3KDM4ETOP1ALDH1A1HPGD
SCHEMBL7017563 0.89 KDM4E (0.52) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7010134 0.88 DRD3 (0.48) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7012951 0.88 KDM4E (0.45) DRD3KDM4ETOP1ALDH1A1HPGD
SCHEMBL7013338 0.87 DRD3 (0.48) DRD3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7011028 0.85 TOP2A (0.57) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7010005 0.84 LMNA (0.49) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL7009308 0.83 CYP3A4 (0.47) KDM4ETOP1ALDH1A1HPGDHSD17B10

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