SCHEMBL7010969

SCHEMBL7010969

O=C(O)c1cn(Cc2ccncc2)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.52
TOP2A P11388 3/20 0.51
TOP2B Q02880 3/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.45
TOP1 P11387 4/20 0.44
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7009985 0.89 CHRM1 (0.61) CHRM1KDM4ELMNAMAPTTOP1
SCHEMBL7006634 0.87 CHRM1 (0.56) CHRM1KDM4ELMNAALDH1A1POLB
SCHEMBL7007769 0.83 KDM4E (0.60) CHRM1TOP2ATOP2BKDM4ELMNA
SCHEMBL500481 0.81 KDM4E (0.69) CHRM1TOP2ATOP2BKDM4ELMNA
SCHEMBL7011663 0.80 KDM4E (0.58) CHRM1TOP2ATOP2BKDM4ELMNA
SCHEMBL9148996 0.80 KDM4E (0.45) CHRM1TOP2ATOP2BKDM4ELMNA
SCHEMBL11185169 0.79 KDM4E (0.60) TOP2ATOP2BKDM4ELMNAALDH1A1
SCHEMBL500816 0.79 KDM4E (0.61) KDM4ELMNAALDH1A1POLBHSP90AA1
SCHEMBL30843076 0.79 KDM4E (0.61) KDM4ELMNAALDH1A1POLBHSP90AA1
SCHEMBL7008956 0.79 KDM4E (0.47) CHRM1TOP2ATOP2BKDM4ELMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-5889009-A ADMINISTERING 1,7-DISUBSTITUTED-4-OX-3-(QUINOLINECARBOXYLIC ACID OR NAPHTHYRIDINECARBOXYLIC ACID) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
US-5703081-A CELL ADHESION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP disclosed