SCHEMBL7012555

SCHEMBL7012555

O=C(O)c1cn(Cc2nccs2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
P2RX3 P56373 1/20 0.41
CHRM1 P11229 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGER1 P34995 1/20 0.40
NR3C1 P04150 1/20 0.39
TOP1 P11387 1/20 0.39

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
SCHEMBL7007053 0.80 TOP1 (0.45) LMNACHRM1TOP1
SCHEMBL5544795 0.79 LMNA (0.73) LMNAP2RX3CHRM1SMN1; SMN2RXFP1
SCHEMBL14516827 0.77 LMNA (0.59) LMNAP2RX3CHRM1SMN1; SMN2RXFP1
SCHEMBL7006078 0.77 F2 (0.41) LMNACHRM1NR3C1
SCHEMBL5544803 0.76 KDM4E (0.57) LMNAP2RX3CHRM1
SCHEMBL30906937 0.76 KDM4E (0.57) LMNAP2RX3CHRM1
SCHEMBL7007290 0.76 TOP1 (0.47) LMNACHRM1TOP1
SCHEMBL3234627 0.76 TP53 (0.59) LMNACHRM1TOP1
SCHEMBL7008119 0.76 F10 (0.45) LMNACHRM1
SCHEMBL7013669 0.74 F10 (0.38) LMNATOP1

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