SCHEMBL7010134

SCHEMBL7010134

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
HSD17B10 Q99714 6/20 0.44
PMP22 Q01453 1/20 0.44
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
BRD4 O60885 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 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
SCHEMBL7016362 0.93 KDM4E (0.56) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7017563 0.91 KDM4E (0.52) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7013338 0.90 DRD3 (0.48) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7009879 0.88 DRD3 (0.46) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7010086 0.87 KDM4E (0.47) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7010782 0.87 KDM4E (0.45) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7015765 0.86 DRD3 (0.44) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7008348 0.85 ALDH1A1 (0.47) DRD3KDM4EALDH1A1HPGDMEN1
SCHEMBL7011715 0.84 TOP2A (0.60) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL7011144 0.84 KDM4E (0.62) DRD3KDM4EALDH1A1HPGDMEN1

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