SCHEMBL7278142

SCHEMBL7278142

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccc(Cl)cc3Cl)nn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F10 P00742 4/20 0.32
MDM2 Q00987 7/20 0.32
TP53 P04637 6/20 0.32
FFAR1 O14842 6/20 0.32
PPARG P37231 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 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
Hydrochloric Acid SCHEMBL7275208 0.92 F10 (0.35) ITGB3ITGA2BF10MDM2TP53
SCHEMBL7338546 0.87 ITGB3 (0.39) ITGB3ITGA2B
Water SCHEMBL7272712 0.87 ITGB3 (0.49) ITGB3ITGA2BF10MDM2TP53
SCHEMBL7284015 0.84 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7283465 0.83 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7277414 0.82 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL7277355 0.82 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7275347 0.82 F2 (0.35) ITGB3ITGA2B
SCHEMBL7275494 0.82 ITGB3 (0.41) ITGB3ITGA2BF10
Hydrochloric Acid SCHEMBL7285462 0.79 F2 (0.34) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
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