SCHEMBL6985835

SCHEMBL6985835

N#Cc1ccc(OCC(=O)N2CCCc3cccc(NS(=O)(=O)c4cccc5ccccc45)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.42
PREP P48147 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL6980541 0.87 HSD17B10 (0.48) HSD17B10MAPTALDH1A1GAAMEN1
SCHEMBL6977890 0.87 SLC16A3 (0.46) SLC16A3PREPHSD17B10ALDH1A1GAA
SCHEMBL6985832 0.85 NR3C1 (0.46) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6982500 0.76 SLC16A3 (0.48) SLC16A3PREPGAATSHR
SCHEMBL6977188 0.76 NR3C1 (0.48) GAA
SCHEMBL6982163 0.75 SLC16A3 (0.45) SLC16A3HSD17B10MAPTALDH1A1GAA
SCHEMBL6985322 0.74 GAA (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6981583 0.73 STAT3 (0.49) SLC16A3MAPTALDH1A1GAAMEN1
SCHEMBL6983048 0.72 NAMPT (0.41) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6985371 0.72 NR3C1 (0.44) SLC16A3ALDH1A1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed