SCHEMBL8102370

SCHEMBL8102370

NC(=O)c1cccc(-c2ccccc2)c1I

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.69
HNF4A P41235 1/20 0.50
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 3/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
IKBKB O14920 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL30030003 0.86 BCAT2 (0.50) BCAT2HNF4AKEAP1NFE2L2NPC1
SCHEMBL8420159 0.85 HNF4A (0.63) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL28053360 0.84 BCAT2 (0.49) BCAT2KEAP1NFE2L2NPC1RAB9A
SCHEMBL132986 0.82 BCAT2 (1.00) BCAT2HNF4AKEAP1NFE2L2NPC1
SCHEMBL16149659 0.82 BCAT2 (0.91) BCAT2HNF4AKEAP1NFE2L2NPC1
SCHEMBL29427545 0.82 BCAT2 (1.00) BCAT2HNF4AKEAP1NFE2L2NPC1
SCHEMBL17558541 0.81 BCAT2 (0.48) BCAT2HNF4AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL5180095 0.80 BCAT2 (0.96) BCAT2HNF4AKEAP1NFE2L2NPC1
Hydrochloric Acid SCHEMBL1785690 0.80 BCAT2 (0.96) BCAT2HNF4AKEAP1NFE2L2NPC1
SCHEMBL28355265 0.80 BCAT2 (0.96) BCAT2HNF4AKEAP1NFE2L2NPC1

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-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed