Arsenic

Arsenic

SCHEMBL8675880

CC1c2ccccc2OC(C)(C)C1(C)C.[AsH3]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
HTT P42858 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2B P41595 1/20 0.32
OPRD1 P41143 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PARP1 P09874 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3894061 0.98 KCNE1 (0.35) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL1963793 0.79 KCNE1 (0.36) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL17929070 0.78 KCNE1 (0.43) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL15254619 0.78 KCNE1 (0.43) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL11317481 0.74 KCNE1 (0.38) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL29249349 0.74 CHRNB2 (0.36) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL297734 0.74 KCNE1 (0.36) LMNAKCNE1KCNQ1HTTTSHR
SCHEMBL10435275 0.74 CHRNB2 (0.36) LMNAKCNE1KCNQ1HTTMAOA
SCHEMBL570350 0.73 MAPT (0.37) HTR2BKMT2A
SCHEMBL8661901 0.73 AHR (0.35) LMNAHTTHTR2BTSHRNPSR1

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-5846738-A Synthetic standard for immunoassays BOEHRINGER MANNHEIM GMBH (DE) 1998-12-08 US disclosed