SCHEMBL7010843

SCHEMBL7010843

O=C(O)c1cn(-c2ccon2)c2nc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
GSK3B P49841 1/20 0.37
RARB P10826 1/20 0.37
TBXAS1 P24557 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 4/20 0.36
CYP2C9 P11712 2/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL7015378 0.84 CAPN1 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7007009 0.84 LMNA (0.47) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7011787 0.83 ALDH1A1 (0.40) GSK3BKMT2ALMNACYP2C9KDM4E
SCHEMBL7010437 0.83 EPHA2 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL7012384 0.83 TOP2A (0.42) KDM4EALDH1A1POLBTOP2ATOP2B
SCHEMBL7006461 0.83 TOP2A (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7011899 0.81 TOP2A (0.38) CYP2C9KDM4EALDH1A1POLBTOP2A
SCHEMBL7010345 0.79 TOP2A (0.39) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7010109 0.79 LMNA (0.46) EPHA2FLT4GSK3BKMT2ALMNA
SCHEMBL7009246 0.79 DPP4 (0.49) LMNACYP2C9KDM4EALDH1A1HPGD

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