SCHEMBL7005558

SCHEMBL7005558

CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc4c(c3)CNC4)c(OC(F)F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 5/20 0.43
PMP22 Q01453 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
BRD4 O60885 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41
EDNRA P25101 1/20 0.41
TARBP2 Q15633 1/20 0.41
DRD3 P35462 1/20 0.41
PIM1 P11309 1/20 0.39
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39

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
SCHEMBL7012951 0.91 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7006455 0.89 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7015765 0.88 DRD3 (0.44) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7014432 0.87 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7010086 0.86 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7005924 0.86 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7010036 0.85 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL7007583 0.85 TOP2A (0.55) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL7007415 0.84 PIM1 (0.44) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL7004314 0.83 TOP2A (0.45) KDM4EHPGDALDH1A1HSD17B10LMNA

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