SCHEMBL8470367

SCHEMBL8470367

CCO[N+]1(c2ccc(N(C(=O)c3c4ccccc4nc4ccccc34)S(=O)(=O)c3ccc(CCC(=O)O)cc3)cc2)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
LMNA P02545 4/20 0.35
GAA P10253 2/20 0.35
KEAP1 Q14145 5/20 0.34
NFE2L2 Q16236 4/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 4/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RAD52 P43351 1/20 0.33
ALDH1A1 P00352 4/20 0.33
RECQL P46063 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
LIMK2 P53671 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8470961 0.91 ALDH1A1 (0.33) LMNAGAAKEAP1NFE2L2MAPT
SCHEMBL8066320 0.89 TP53 (0.36) PTGESALOX5LMNAGAAKEAP1
SCHEMBL8471242 0.89 ALDH1A1 (0.33) LMNAGAAMAPTTP53KMT2A
SCHEMBL8079570 0.81 TP53 (0.34) LMNAGAAMAPTTP53KMT2A
SCHEMBL8066369 0.79 TP53 (0.33) LMNAMAPTTP53KMT2APOLB
SCHEMBL8470369 0.79 LMNA (0.41) PTGESALOX5LMNAGAAKEAP1
Bromide SCHEMBL8469899 0.79 KEAP1 (0.45) PTGESALOX5LMNAKEAP1NFE2L2
Bromide SCHEMBL8471510 0.78 HSP90AA1 (0.50) PTGESALOX5LMNAGAAKEAP1
Bromide SCHEMBL8469737 0.76 ALDH1A1 (0.50) PTGESALOX5LMNAGAAKEAP1
SCHEMBL13433217 0.74 KMT2A (0.51) LMNAGAAKEAP1NFE2L2MAPT

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
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed