SCHEMBL9055655

SCHEMBL9055655

Cc1cnc2c(S(=O)(=O)N(C)[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCC(C)CC3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTR6 P50406 1/20 0.38
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 2/20 0.35
CCR10 P46092 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35
ITGA2B P08514 3/20 0.35
HTR7 P34969 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
SCHEMBL9054863 0.93 F2 (0.40) F2MAPTALDH1A1HPGDHTR6
SCHEMBL9055255 0.90 HTR6 (0.36) F2MAPTALDH1A1HPGDHTR6
SCHEMBL9056480 0.83 F2 (0.42) F2MAPTALDH1A1HPGDHTR6
SCHEMBL9056442 0.81 CCR10 (0.44) F2MAPTALDH1A1HPGDCYP3A4
SCHEMBL9055946 0.81 HTR6 (0.33) F2MAPTHTR6ITGB3ITGAV
SCHEMBL9059238 0.81 F2 (0.43) F2
SCHEMBL9058635 0.80 F2 (0.34) F2ALDH1A1HTR6MAPK1ITGB3
SCHEMBL9055264 0.79 F2 (0.43) F2MAPTALDH1A1HPGDHTR6
SCHEMBL9062397 0.78 ALDH1A1 (0.42) F2MAPTALDH1A1HPGDHTR6
SCHEMBL9055273 0.77 MAPT (0.39) MAPTALDH1A1HPGDHTR6SMN1; SMN2

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