Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28270010

Clc1cnc2ccccc2n1.S

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PDE10A Q9Y233 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HTT P42858 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GPR3 P46089 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
BCHE P06276 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
SCHEMBL222284 0.98 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL30731286 0.98 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APDE10ATDP1
Biphenyl SCHEMBL28350717 0.89 NPC1 (0.52) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL16151415 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APDE10ATDP1
Sulfamide SCHEMBL28719576 0.86 HTT (0.50) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL28130845 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL6517140 0.86 NPC1 (0.44) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL7689829 0.77 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1
SCHEMBL30754258 0.74 TDP1 (0.48) SMN1; SMN2NPC1RAB9APDE10ATDP1
SCHEMBL28156588 0.74 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1

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
CN-109152744-A Stable formulations for lyophilized therapeutic particles 辉瑞公司 2019-01-04 CN disclosed