SCHEMBL9258264

SCHEMBL9258264

N=C(N)c1ccc(N2CCC(c3nnn(-c4ccc(CCC(=O)O)cc4)n3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 14/20 0.64
ALOX15 P16050 1/20 0.42
F2 P00734 4/20 0.40
PRSS1 P07477 4/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
TMPRSS6 Q8IU80 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
F10 P00742 2/20 0.40
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL9254596 0.89 ITGB3 (0.50) ITGB3ITGA2BF2PRSS1F10
SCHEMBL9254517 0.89 ITGB3 (0.49) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9253862 0.82 ITGB3 (0.53) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL9253831 0.79 UBE2T (0.40) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL9258838 0.78 ITGB3 (0.59) ITGB3ITGA2BALOX15F2PRSS1
Hydrochloric Acid SCHEMBL8988856 0.78 ITGB3 (0.69) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL9254446 0.74 ITGB3 (0.57) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL9248091 0.73 ITGB3 (0.56) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL9257817 0.73 HPGD (0.43) ITGB3ITGA2BALOX15F2PRSS1
SCHEMBL7118598 0.71 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1PRSS2

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US claimed