Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL11147516

Nc1ccccc1C(F)(F)F.S

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 2/20 0.43
CUL4A Q13619 1/20 0.42
HTR2C P28335 3/20 0.40
HTR2B P41595 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BACE1 P56817 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL8994564 0.97 ALDH1A1 (0.48) POLBALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL70554 0.97 ALDH1A1 (0.48) POLBALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL29882203 0.97 ALDH1A1 (0.48) POLBALDH1A1L3MBTL1TDP1CYP3A4
Hydrochloric Acid SCHEMBL4371044 0.95 TDP1 (0.52) POLBALDH1A1L3MBTL1TDP1CYP3A4
Water SCHEMBL6244814 0.95 POLB (0.46) POLBALDH1A1L3MBTL1TDP1CYP3A4
Fluoride SCHEMBL7897532 0.95 POLB (0.46) POLBALDH1A1L3MBTL1TDP1CYP3A4
Ammonia Solution, Strong SCHEMBL8056717 0.95 POLB (0.46) POLBALDH1A1L3MBTL1TDP1CYP3A4
Hydrochloric Acid SCHEMBL1768867 0.95 TDP1 (0.52) POLBALDH1A1L3MBTL1TDP1CYP3A4
Aniline SCHEMBL22169163 0.88 TSHR (0.50) POLBALDH1A1L3MBTL1TDP1CYP3A4
Boric Acid SCHEMBL28518791 0.88 TDP1 (0.42) POLBALDH1A1L3MBTL1TDP1CYP3A4

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-4404069-A Electrolytic desulfurization of anilino sulfur compounds MONSANTO COMPANY (US) 1983-09-13 US disclosed