SCHEMBL7286629

SCHEMBL7286629

N=C(N)c1cnc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(=O)N3CCS(=O)(=O)CC3)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL7286641 0.94 ITGB3 (0.43) ITGB3ITGA2BLMNAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7277533 0.91 ITGB3 (0.34) ITGB3ITGA2BLMNAMEN1ALDH1A1
SCHEMBL7277654 0.90 ITGB3 (0.43) ITGB3ITGA2BLMNAMEN1ALDH1A1
SCHEMBL7275066 0.90 ITGB3 (0.43) ITGB3ITGA2BLMNAALDH1A1
SCHEMBL7277653 0.88 ITGB3 (0.42) ITGB3ITGA2BLMNA
SCHEMBL7277402 0.88 ITGB3 (0.50) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7281127 0.83 ITGB3 (0.55) ITGB3ITGA2BLMNAALDH1A1F10
SCHEMBL7277794 0.83 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7274168 0.83 ITGB3 (0.52) ITGB3ITGA2BALDH1A1
SCHEMBL7273817 0.83 ITGB3 (0.54) ITGB3ITGA2BLMNAALDH1A1F10

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
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed