SCHEMBL9055273

SCHEMBL9055273

CC1CCN(C(=O)[C@H](CCCNc2ncc[nH]2)N(C)S(=O)(=O)c2cccc3cccnc23)C(OC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HTR7 P34969 5/20 0.36
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
GFER P55789 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9055264 0.90 F2 (0.43) MAPTHTR7HTR6ALDH1A1HPGD
SCHEMBL9062397 0.87 ALDH1A1 (0.42) MAPTHTR7HTR6ALDH1A1HPGD
SCHEMBL9055946 0.86 HTR6 (0.33) MAPTHTR6
SCHEMBL9055255 0.82 HTR6 (0.36) MAPTHTR7HTR6ALDH1A1HPGD
SCHEMBL9056480 0.81 F2 (0.42) MAPTHTR7HTR6ALDH1A1HPGD
SCHEMBL9059446 0.78 F2 (0.53)
SCHEMBL9055617 0.78 F2 (0.44)
SCHEMBL9055403 0.78 F2 (0.44)
SCHEMBL9056467 0.78 ITGB3 (0.43) MAPTHTR7ALDH1A1HPGDTSHR
SCHEMBL9054379 0.78 F2 (0.43)

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