SCHEMBL7010782

SCHEMBL7010782

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 5/20 0.42
PMP22 Q01453 1/20 0.41
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TOP1 P11387 5/20 0.39
PIM1 P11309 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
SCHEMBL7009879 0.91 DRD3 (0.46) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7015765 0.89 DRD3 (0.44) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7006455 0.88 KDM4E (0.43) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7017563 0.87 KDM4E (0.52) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7010134 0.87 DRD3 (0.48) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7013089 0.86 TOP2A (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7009430 0.86 KDM4E (0.53) KDM4EDRD3ALDH1A1TOP2ATOP2B
SCHEMBL7013338 0.86 DRD3 (0.48) KDM4EDRD3ALDH1A1HPGDMEN1
SCHEMBL7014275 0.86 LMNA (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7006526 0.85 TOP2A (0.45) KDM4EALDH1A1HPGDMEN1KMT2A

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