SCHEMBL9056480

SCHEMBL9056480

CN([C@@H](CCCNc1ncc[nH]1)C(=O)N1CCCCC1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 2/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9054863 0.90 F2 (0.40) F2ALDH1A1MAPTTSHRHTR6
SCHEMBL9057064 0.84 F2 (0.51) F2MAPTALOX15TSHRHPGD
SCHEMBL9055918 0.83 F2 (0.43) F2
SCHEMBL9055264 0.83 F2 (0.43) F2ALDH1A1MAPTHTR7HTR6
SCHEMBL9055655 0.83 F2 (0.39) F2ALDH1A1MAPTHTR7HTR6
SCHEMBL9055273 0.81 MAPT (0.39) ALDH1A1MAPTTSHRHTR7HTR6
SCHEMBL9062397 0.80 ALDH1A1 (0.42) F2ALDH1A1MAPTALOX15TSHR
SCHEMBL9059238 0.77 F2 (0.43) F2
SCHEMBL9055255 0.76 HTR6 (0.36) F2ALDH1A1MAPTHTR7HTR6
SCHEMBL9057780 0.76 ITGB3 (0.39) F2MAPT

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