SCHEMBL7014014

SCHEMBL7014014

O=C(O)c1cn(C2COC2)c2nc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
TOP2A P11388 12/20 0.41
TOP2B Q02880 12/20 0.41
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.37
DRD1 P21728 1/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37
EDNRA P25101 1/20 0.37
TARBP2 Q15633 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
SCHEMBL7009246 0.92 DPP4 (0.49) DPP4TOP2ATOP2BLMNACYP2C9
SCHEMBL7014330 0.86 DPP4 (0.41) DPP4TOP2ATOP2BLMNACYP2C9
SCHEMBL7011800 0.82 KDM4E (0.47) TOP2ATOP2BLMNACYP2C9KDM4E
SCHEMBL7009304 0.81 TOP2A (0.50) TOP2ATOP2BLMNACYP2C9KDM4E
SCHEMBL7014612 0.81 TOP2A (0.50) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL7008502 0.81 TOP2A (0.61) TOP2ATOP2BLMNACYP2C9KDM4E
SCHEMBL7011864 0.81 LMNA (0.58) LMNACYP2C9KDM4EALDH1A1CYP1A2
SCHEMBL7010109 0.81 LMNA (0.46) DPP4TOP2ATOP2BLMNACYP2C9
SCHEMBL7007009 0.80 LMNA (0.47) DPP4TOP2ATOP2BLMNACYP2C9
SCHEMBL7015378 0.80 CAPN1 (0.45) TOP2ATOP2BLMNACYP2C9KDM4E

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