SCHEMBL6979371

SCHEMBL6979371

Cc1cc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.40
METAP2 P50579 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NR3C1 P04150 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6984821 0.90 TUBB4A (0.40) PKMTP53METAP2MAPTMEN1
SCHEMBL6983505 0.87 NR3C1 (0.42) PKMALDH1A1TP53MAPTMEN1
SCHEMBL6985322 0.87 GAA (0.41) PKMALDH1A1TP53METAP2MAPT
SCHEMBL6979366 0.85 NR3C1 (0.54) PKMTP53MAPTMEN1KMT2A
SCHEMBL7411038 0.83 PKM (0.43) PKMALDH1A1TP53MAPTMEN1
SCHEMBL6987605 0.83 SLC40A1 (0.38) PKMTP53METAP2MAPTMEN1
SCHEMBL6984843 0.83 GAA (0.43) PKMALDH1A1METAP2MEN1KMT2A
SCHEMBL6985749 0.83 ALDH1A1 (0.48) PKMALDH1A1TP53MAPTMEN1
SCHEMBL6984039 0.80 TP53 (0.45) PKMALDH1A1TP53MAPTLMNA
SCHEMBL7414191 0.80 PKM (0.42) PKMALDH1A1TP53MAPTMEN1

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