Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL27573196

COc1cccc(N)c1.S

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.95
ALDH1A1 P00352 2/20 0.95
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 2/20 0.57
MAOB P27338 1/20 0.56
ACHE P22303 1/20 0.54
CYP19A1 P11511 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29371962 0.98
SCHEMBL66692 0.98
Hydrochloric Acid SCHEMBL4377523 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
SCHEMBL28853908 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
SCHEMBL356292 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL2436899 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
SCHEMBL30713827 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL28812161 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Phosphine SCHEMBL28034584 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL27742994 0.93 CYP3A4 (0.91) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582230-C Expression of endogenous genes by non-homologous recombination of vector constructs with cellular DNA ATHERSYS INC 2010-01-20 CN disclosed
CN-1384881-A Compositions and methods for non-targeted activation of endogenous genes ATHERSYS INC (US) 2002-12-11 CN disclosed
CN-1280615-A Expression of endogenous genes by non-homologons recombination of a vactor construct with cellular DNA ATHERSYS INC (US) 2001-01-17 CN disclosed