SCHEMBL28056036

SCHEMBL28056036

Nc1ccc(N)cc1.O=[As](O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.68
RAB9A P51151 3/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 6/20 0.50
ALOX15 P16050 2/20 0.50
CA6 P23280 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 5/20 0.47
TP53 P04637 1/20 0.47
NT5E P21589 1/20 0.46
TXNRD1 Q16881 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
Aniline SCHEMBL10892177 0.84 TSHR (0.65) TSHRRAB9AKDM4EMAPTMEN1
Arsanilic Acid SCHEMBL160507 0.82 KDM4E (1.00) TSHRRAB9AKDM4EMAPTMEN1
Arsanilic Acid SCHEMBL4837583 0.82 KDM4E (1.00) TSHRRAB9AKDM4EMAPTMEN1
Arsanilic Acid SCHEMBL31473003 0.80 TSHR (0.95) TSHRRAB9AKDM4EMAPTMEN1
Arsanilic Acid SCHEMBL5051668 0.80 KDM4E (0.95) TSHRRAB9AKDM4EMAPTMEN1
SCHEMBL320609 0.76 MEN1 (1.00) TSHRRAB9AMAPTMEN1KMT2A
SCHEMBL27981 0.76
Bicarbonate SCHEMBL10433540 0.74 MAPT (0.61) TSHRRAB9AKDM4EMAPTMEN1
Bicarbonate SCHEMBL11010145 0.74 MAPT (0.61) TSHRRAB9AKDM4EMAPTMEN1
Methyl Alcohol SCHEMBL9437744 0.72 MAPT (0.73) TSHRRAB9AKDM4EMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105734273-B A kind of processing method of arsenic-containing material 阳谷祥光铜业有限公司 2019-01-15 CN disclosed
CN-105734273-A Processing method of arsenic-containing material 阳谷祥光铜业有限公司 2016-07-06 CN disclosed