SCHEMBL6976883

SCHEMBL6976883

N#Cc1ccc(SCCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.38
AR P10275 1/20 0.38
MCL1 Q07820 3/20 0.38
BCL2A1 Q16548 2/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL6985322 0.87 GAA (0.41) NR3C1ARPKMALDH1A1NPC1
SCHEMBL6980541 0.83 HSD17B10 (0.48) NR3C1ARPKMALDH1A1SMN1; SMN2
SCHEMBL7963390 0.83 NR3C1 (0.54) NR3C1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6983505 0.82 NR3C1 (0.42) NR3C1ARPKMALDH1A1LMNA
SCHEMBL6985371 0.82 NR3C1 (0.44) NR3C1ARPKMALDH1A1LMNA
SCHEMBL7406048 0.81 EEF2K (0.39) NR3C1ARPKMALDH1A1LMNA
SCHEMBL6982980 0.81 PKM (0.39) NR3C1ARPKMALDH1A1LMNA
SCHEMBL6974903 0.81 TP53 (0.39) NR3C1ARPKMALDH1A1LMNA
SCHEMBL6983048 0.80 NAMPT (0.41) NR3C1ARPKMALDH1A1LMNA
SCHEMBL7085529 0.80 MAPT (0.39) NR3C1ARPKMALDH1A1LMNA

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed