SCHEMBL6920399

SCHEMBL6920399

N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.51
ALB P02768 5/20 0.50
CCR8 P51685 1/20 0.47
TP53 P04637 2/20 0.46
SERPINE1 P05121 1/20 0.46
KAT6A Q92794 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P4HB P07237 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6349631 0.86 ALB (0.52) KMT2AMEN1ALBTP53SERPINE1
SCHEMBL13870885 0.84 KMT2A (0.70) LMNAKMT2AALDH1A1MEN1ALB
SCHEMBL17115694 0.84 LMNA (0.58) LMNAKMT2AALDH1A1TP53HPGD
SCHEMBL6352325 0.83 KMT2A (0.49) LMNAKMT2AALDH1A1MEN1ALB
SCHEMBL17115714 0.83 ALDH1A1 (0.60) LMNAKMT2AALDH1A1P4HBMAPT
SCHEMBL6348185 0.81 MCOLN3 (0.60) LMNAKMT2AALDH1A1MEN1ALB
SCHEMBL6819989 0.81 ALB (0.54) LMNAKMT2AALDH1A1MEN1ALB
SCHEMBL6356973 0.81 KMT2A (0.51) KMT2AALDH1A1MEN1ALBSERPINE1
SCHEMBL6354039 0.80 TP53 (0.69) ALDH1A1ALBTP53MAPT
SCHEMBL6359330 0.80 TP53 (0.72) KMT2AALDH1A1MEN1ALBTP53

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
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed