SCHEMBL8345937

SCHEMBL8345937

C[C@H](CC=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4)cn3)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.54
ITGA4 P13612 19/20 0.54
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14137400 0.90 ITGB1 (0.52) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL14096935 0.90 ITGB1 (0.67) ITGB1ITGA4
Hydrochloric Acid SCHEMBL5070969 0.89 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL14096938 0.82 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL5069282 0.81 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL5066815 0.81 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL8344087 0.81 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL5069280 0.79 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5066813 0.79 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL8345907 0.75 ITGB1 (0.77) ITGB1ITGA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 WO disclosed