SCHEMBL9255039

SCHEMBL9255039

COc1cc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)ccc1CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ITGAV P06756 1/20 0.38
FFAR1 O14842 1/20 0.38
AMY1A P0DUB6 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9250408 0.91 CHEK1 (0.38) S1PR1ITGB3ITGA2BMAPTL3MBTL1
SCHEMBL9255778 0.86 ITGB3 (0.37) ITGB3ITGA2BF10
SCHEMBL9254490 0.86 F10 (0.38) ITGB3ITGA2BPOLBF10
SCHEMBL9258892 0.83 ITGB3 (0.39) ITGB3ITGA2BMAPTMEN1KMT2A
SCHEMBL9254911 0.82 F7 (0.37) ITGB3ITGA2BPLAUF10
SCHEMBL9253735 0.81 F10 (0.38) ITGB3ITGA2BF10
SCHEMBL9251429 0.80 TMPRSS15 (0.36) ITGB3ITGA2BF10
SCHEMBL9253817 0.80 TMPRSS15 (0.38) ITGB3ITGA2BF10
SCHEMBL9256974 0.80 ITGB3 (0.51) ITGB3ITGA2BFFAR1F10
SCHEMBL9253132 0.80 ITGB3 (0.51) ITGB3ITGA2BFFAR1F10

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed