SCHEMBL7085529

SCHEMBL7085529

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NR3C1 P04150 4/20 0.37
SLC25A1 P53007 1/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
CCKBR P32239 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
SCHEMBL6974903 0.89 TP53 (0.39) MAPTTP53LMNATHRBPKM
SCHEMBL6983505 0.85 NR3C1 (0.42) MAPTTP53LMNATHRBPKM
SCHEMBL6985322 0.85 GAA (0.41) MAPTTP53LMNATHRBPKM
SCHEMBL7085527 0.85 NR3C1 (0.51) MAPTTP53LMNAPKMKMT2A
SCHEMBL6984759 0.80 LMNA (0.47) MAPTTP53LMNATHRBPKM
SCHEMBL6985749 0.80 ALDH1A1 (0.48) MAPTTP53LMNATHRBPKM
SCHEMBL6982764 0.80 FPR1 (0.43) MAPTLMNAPKMKMT2AMEN1
SCHEMBL7408050 0.80 TP53 (0.40) MAPTTP53LMNATHRBPKM
SCHEMBL6976883 0.80 NR3C1 (0.38) MAPTTP53LMNATHRBPKM
SCHEMBL6982163 0.79 SLC16A3 (0.45) MAPTTP53LMNATHRBPKM

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