SCHEMBL7696789

SCHEMBL7696789

CCCCS(=O)(=O)Oc1ccccc1S(=O)(=O)C(=[N+]=[N-])C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
RECQL P46063 1/20 0.37
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32

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
SCHEMBL7689347 0.91 CES2 (0.37) NPC1RECQLKMT2AMEN1MRGPRX1
SCHEMBL7690052 0.90 MRGPRX1 (0.33) HSD11B1RECQLKMT2AMRGPRX1MAPT
SCHEMBL7696007 0.88 MRGPRX1 (0.35) MRGPRX1
SCHEMBL7694414 0.83 NPC1 (0.31) NPC1MRGPRX1
SCHEMBL7696768 0.83 PTGS2 (0.34) NPC1RECQLHDAC6KMT2AMEN1
SCHEMBL7696792 0.83 ENPP1 (0.38) RAB9AALDH1A1NPC1RECQLHDAC3
SCHEMBL7690708 0.82 HSD11B1 (0.43) RAB9AALDH1A1NPC1HSD11B1HSD17B3
SCHEMBL7696127 0.80 HSD11B1 (0.37) RAB9ANPC1HSD11B1KMT2AMEN1
SCHEMBL7693667 0.76 MRGPRX1 (0.34) NPC1MRGPRX1
SCHEMBL7693577 0.76 ENPP3 (0.39) ALDH1A1NPC1KMT2AMEN1SMN1; SMN2

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-6338931-B1 PHOTOACID GENERATOR OF SULFONYLDIAZOMETHANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-01-15 US disclosed