SCHEMBL9054863

SCHEMBL9054863

Cc1cnc2c(S(=O)(=O)N(C)[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCCCC3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
HTR6 P50406 1/20 0.36
ITGB3 P05106 7/20 0.36
ITGAV P06756 7/20 0.36
ITGA2B P08514 6/20 0.36
P2RX7 Q99572 5/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CAMK2D Q13557 1/20 0.33
P2RX4 Q99571 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9055655 0.93 F2 (0.39) F2HTR6ITGB3ITGAVITGA2B
SCHEMBL9056480 0.90 F2 (0.42) F2HTR6MAPTALDH1A1SMN1; SMN2
SCHEMBL9055255 0.86 HTR6 (0.36) F2HTR6ITGB3ITGAVITGA2B
SCHEMBL9055918 0.80 F2 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL9055946 0.77 HTR6 (0.33) F2HTR6ITGB3ITGAVITGA2B
SCHEMBL9058635 0.76 F2 (0.34) F2HTR6ITGB3ITGAVITGA2B
SCHEMBL9055123 0.75 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL9057064 0.75 F2 (0.51) F2ITGB3ITGAVITGA2BMAPT
SCHEMBL9059238 0.74 F2 (0.43) F2
SCHEMBL9055264 0.74 F2 (0.43) F2HTR6MAPTALDH1A1LMNA

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed