SCHEMBL6978217

SCHEMBL6978217

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
LMNA P02545 3/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MCL1 Q07820 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ACLY P53396 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL6984039 0.89 TP53 (0.45) LMNACNR1HTTMAPTALDH1A1
SCHEMBL6984759 0.89 LMNA (0.47) LMNAHTTMAPTMEN1ALDH1A1
SCHEMBL6982953 0.86 CCR10 (0.39) LMNACNR1HPGDTSHRMAPT
SCHEMBL6985322 0.84 GAA (0.41) LMNATSHRMAPTMEN1ALDH1A1
SCHEMBL6978212 0.84 TRIM24 (0.48) MEN1KMT2ATP53
SCHEMBL6977498 0.84 CCKBR (0.44) LMNANPSR1MAPTMEN1ALDH1A1
SCHEMBL6977890 0.84 SLC16A3 (0.46) SLC16A3HPGDTSHRMEN1ALDH1A1
SCHEMBL6982821 0.83 MAPT (0.41) LMNAHTTNPSR1MAPTMEN1
SCHEMBL6978202 0.82 ALDH1A1 (0.37) HPGDTSHRMAPTMEN1ALDH1A1
SCHEMBL7414191 0.82 PKM (0.42) NPSR1HPGDTSHRMAPTMEN1

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