SCHEMBL7006115

SCHEMBL7006115

O=C(O)c1cn(Cc2nccs2)c2c(F)c(N3CCN(c4ccncc4)CC3)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
HPGD P15428 6/20 0.46
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 6/20 0.46
PMP22 Q01453 1/20 0.46
ADRA2B P18089 1/20 0.44
MAPK1 P28482 1/20 0.44
TOP2A P11388 2/20 0.41
TOP2B Q02880 1/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.40
POLB P06746 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL9080102 0.91 KDM4E (0.69) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079172 0.90 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL7013142 0.90 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL7006119 0.90 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079640 0.87 KDM4E (0.57) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9079034 0.87 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL7007780 0.86 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL7010715 0.84 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9278869 0.84 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL9077638 0.84 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1PMP22

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 10 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 claimed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP claimed
US-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US claimed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP claimed
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