SCHEMBL8000279

SCHEMBL8000279

NC(=O)c1ccc(N(S(=O)(=O)/C=C/c2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 4/20 0.42
CYP1B1 Q16678 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL7988652 0.85 PPARG (0.44) KMT2AMAPTPOLBCYP3A4PARP1
SCHEMBL7988661 0.82 PPARG (0.49) KMT2AMAPTTSHRL3MBTL1CYP1B1
SCHEMBL1240823 0.77 CA2 (0.49) KMT2AMAPTPOLBCYP3A4PARP1
SCHEMBL7187617 0.75 MAPT (0.62) KMT2AMAPTPOLBCYP3A4PARP1
SCHEMBL4156173 0.75 MAPT (0.62) KMT2AMAPTPOLBCYP3A4PARP1
SCHEMBL16131295 0.75 MAPT (0.62) KMT2AMAPTPOLBCYP3A4PARP1
SCHEMBL7997495 0.75 PTGES2 (0.44) MAPTTSHRL3MBTL1PPARGLMNA
SCHEMBL7998748 0.74 CYP19A1 (0.41) KMT2AMAPTPOLBSMN1; SMN2PPARG
SCHEMBL8004163 0.72 TSHR (0.42) KMT2AMAPTPOLBTSHRCYP2C19
SCHEMBL8279346 0.70 PPARG (0.39) KMT2AMAPTPOLBHSD17B10TDP1

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-2009120783-A1 HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE THE JOHNS HOPKINS UNIVERSITY (US) 2009-10-01 WO disclosed