SCHEMBL6983505

SCHEMBL6983505

N#Cc1cccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.42
CCKBR P32239 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTGER4 P35408 1/20 0.38
ACLY P53396 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
SLC16A3 O15427 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AR P10275 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
SCHEMBL6985322 0.91 GAA (0.41) NR3C1PKMMEN1KMT2ATP53
SCHEMBL6974903 0.87 TP53 (0.39) NR3C1CCKBRPKMMEN1KMT2A
SCHEMBL6979371 0.87 PKM (0.43) NR3C1PKMMEN1KMT2ATP53
SCHEMBL6984821 0.87 TUBB4A (0.40) NR3C1PKMMEN1KMT2ATP53
SCHEMBL7085529 0.85 MAPT (0.39) NR3C1CCKBRPKMMEN1KMT2A
SCHEMBL6983499 0.84 NR3C1 (0.59) NR3C1KMT2ATP53LMNAMAPT
SCHEMBL6984039 0.84 TP53 (0.45) NR3C1CCKBRPKMTP53LMNA
SCHEMBL6977498 0.84 CCKBR (0.44) NR3C1CCKBRPKMMEN1KMT2A
SCHEMBL6987605 0.84 SLC40A1 (0.38) NR3C1PKMMEN1KMT2ATP53
SCHEMBL7411038 0.84 PKM (0.43) NR3C1CCKBRPKMMEN1KMT2A

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