SCHEMBL7005462

SCHEMBL7005462

N=C(N)c1ccc(C(=O)N2CCN(c3ccc4c(=O)c(C(=O)O)cn(Cc5nccs5)c4c3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.42
PIK3CG P48736 3/20 0.40
C1S P09871 2/20 0.38
CYP2D6 P10635 3/20 0.38
USP2 O75604 2/20 0.38
SLC6A7 Q99884 1/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
KHK P50053 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
IGF2BP1 Q9NZI8 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 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
SCHEMBL7011265 0.90 ITGB3 (0.39) C1SCYP2D6USP2SLC6A7CYP3A4
SCHEMBL7007053 0.83 TOP1 (0.45) TOP1PIK3CGCYP2D6USP2KHK
SCHEMBL7006078 0.80 F2 (0.41) ITGB3ITGA2BKHK
SCHEMBL7007290 0.79 TOP1 (0.47) TOP1CYP2C9CYP1A2TSHR
SCHEMBL7008119 0.78 F10 (0.45)
SCHEMBL7013669 0.77 F10 (0.38) TOP1
SCHEMBL7009371 0.77 F10 (0.39) TOP1
SCHEMBL7011604 0.76 F10 (0.41) TOP1
SCHEMBL7008407 0.75 F10 (0.38) TOP1ITGB3
SCHEMBL8380898 0.75 SLC6A7 (0.43) CYP2D6USP2SLC6A7CYP3A4CYP2C9

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 8 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
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
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