SCHEMBL8696189

SCHEMBL8696189

NC#CCC(C(=O)O)(c1cccc(NC2=NCCN2)c1)S(=O)(=O)c1ccccc1NC=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.36
ITGAV P06756 14/20 0.36
ITGA2B P08514 12/20 0.36
ITGB1 P05556 5/20 0.36
ITGB5 P18084 5/20 0.36
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL8694013 0.81 RXFP1 (0.39) RXFP1LMNAMAPTHTT
SCHEMBL8693773 0.66 RXFP1 (0.40) RXFP1LMNAMAPTHTT
SCHEMBL8429158 0.64 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538079 0.62 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.61 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8696196 0.61 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541005 0.61 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.60 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2839861 0.60 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL1036359 0.59 ADRA2A (0.78) ADRA2AADRA2BADRA2C

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-5843906-A Meta-substituted phenylene sulphonamide derivatives G. D. SEARLE & CO. (US) 1998-12-01 US disclosed