SCHEMBL7007290

SCHEMBL7007290

O=C(O)c1cn(Cc2nccs2)c2cc(N3CCC(C4CCNCC4)CC3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.47
LMNA P02545 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
BRD4 O60885 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CYP2J2 P51589 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP2C9 P11712 2/20 0.35
ATP6V1B2 P21281 1/20 0.35
TBXA2R P21731 1/20 0.35
EDNRA P25101 1/20 0.35
TARBP2 Q15633 1/20 0.35
CHRM1 P11229 1/20 0.34
CYP1A2 P05177 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
SCHEMBL7011985 0.90 TOP1 (0.37) TOP1CNR1CNR2
SCHEMBL7007053 0.84 TOP1 (0.45) TOP1LMNAKDM4EALDH1A1CNR1
SCHEMBL27439565 0.83 FEN1 (0.35) TOP1ALDH1A1TSHRCYP2C9CYP1A2
SCHEMBL7006577 0.80 KDM4E (0.52) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL7005462 0.79 TOP1 (0.42) TOP1TSHRCYP2C9CYP1A2
SCHEMBL7008626 0.79 CHRM1 (0.56) TOP1LMNACNR1CNR2CHRM1
SCHEMBL7012555 0.76 LMNA (0.46) TOP1LMNACHRM1
SCHEMBL8379385 0.73 FEN1 (0.36) KDM4EALDH1A1HSD17B10TSHRCYP2C9
SCHEMBL7009855 0.73 KHK (0.38) TOP1ALDH1A1TSHRCNR1CNR2
Hydrochloric Acid SCHEMBL27411367 0.72 KDM4E (0.36) LMNAKDM4EALDH1A1HPGDHSD17B10

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
CN-1099029-A Carbostyril carboxylic acid derivatives, its preparation and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-02-22 CN 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
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-5519024-A CELL ADHESION INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
CN-1099029-A Carbostyril carboxylic acid derivatives, its preparation and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-02-22 CN 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