SCHEMBL7007053

SCHEMBL7007053

O=C(O)c1cn(Cc2nccs2)c2cc(N3CCN(c4ccncc4)CC3)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.45
CAPN1 P07384 1/20 0.41
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KHK P50053 3/20 0.37
CHRM1 P11229 1/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIK3CG P48736 1/20 0.36
USP10 Q14694 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7009855 0.88 KHK (0.38) TOP1CNR1CNR2ALDH1A1KHK
SCHEMBL7007290 0.84 TOP1 (0.47) TOP1CNR1CNR2LMNAALDH1A1
SCHEMBL7005462 0.83 TOP1 (0.42) TOP1KHKUSP2CYP2D6PIK3CG
SCHEMBL7404567 0.82 DRD3 (0.52) TOP1CAPN1LMNADRD3ALDH1A1
SCHEMBL7006115 0.81 KDM4E (0.59) TOP1DRD3ALDH1A1PIK3CGKDM4E
SCHEMBL27439568 0.81 KHK (0.37) KHKUSP2CYP2D6
SCHEMBL7012555 0.80 LMNA (0.46) TOP1LMNACHRM1
SCHEMBL9079851 0.77 KDM4E (0.41) LMNADRD3ALDH1A1CHRM1PIK3CG
SCHEMBL7011985 0.74 TOP1 (0.37) TOP1CNR1CNR2KHK
SCHEMBL7011265 0.73 ITGB3 (0.39) LMNAKHKUSP2CYP2D6

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