Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL28166327

Cc1cccc(-c2ccccc2)c1-c1ccccc1.S

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CYP2A6 P11509 2/20 0.43
CYP2B6 P20813 1/20 0.43
FABP4 P15090 1/20 0.42
HTR7 P34969 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1556559 0.98 MYC (0.48) MYCALDH1A1HSD17B10PDCD1CD274
SCHEMBL28963571 0.95 MYC (0.47) MYCALDH1A1HSD17B10PDCD1CD274
Ammonia Solution, Strong SCHEMBL28419332 0.95 MYC (0.47) MYCALDH1A1HSD17B10PDCD1CD274
Bicarbonate SCHEMBL17473052 0.90 MYC (0.56) MYCALDH1A1PDCD1CD274FABP4
Ammonia Solution, Strong SCHEMBL28409877 0.88 MYC (0.42) MYCALDH1A1HSD17B10PDCD1CD274
Guanidine SCHEMBL10623936 0.88 MYC (0.46) MYCALDH1A1HSD17B10PDCD1CD274
SCHEMBL21742622 0.86 NOTUM (0.50) MYCALDH1A1CYP2A6CYP2B6FGFR1
SCHEMBL28109485 0.86 ESR2 (0.52) MYCALDH1A1HSD17B10HPGDNPC1
SCHEMBL10452685 0.86 CYP1A2 (0.50) MYCALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL27677343 0.86 ESR2 (0.52) MYCALDH1A1HSD17B10HPGDNPC1

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-107003570-A Liquid crystal represents element 日产化学工业株式会社 2017-08-01 CN disclosed
CN-107003571-A Liquid crystal represents element 日产化学工业株式会社 2017-08-01 CN disclosed