SCHEMBL7009844

SCHEMBL7009844

COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TOP1 P11387 3/20 0.42
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37
KCNH2 Q12809 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL7009251 0.94 TOP2A (0.47) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7013450 0.90 KDM4E (0.45) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7007415 0.90 PIM1 (0.44) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7009073 0.90 EPHA2 (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL7015137 0.89 PIM1 (0.47) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7010745 0.88 TOP2A (0.48) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7010005 0.88 LMNA (0.49) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7010401 0.88 LMNA (0.47) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7011692 0.87 LMNA (0.47) PIM1LMNAMEN1KMT2AKDM4E
SCHEMBL7010345 0.84 TOP2A (0.39) KDM4EALDH1A1HPGDHSD17B10TOP1

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