Methane

Methane

SCHEMBL10822285

C.NC([O-])=S.[O-]C(=S)Nc1ccccc1.[Zn+2]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TAS2R38 P59533 3/20 0.61
HSD17B10 Q99714 2/20 0.61
TP53 P04637 2/20 0.61
TSHR P16473 2/20 0.61
TYR P14679 1/20 0.61
CYP3A4 P08684 1/20 0.54
GAA P10253 7/20 0.52
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
NOX1 Q9Y5S8 2/20 0.50
MAPT P10636 3/20 0.48
PHGDH O43175 1/20 0.48
PTPN7 P35236 1/20 0.46
LMNA P02545 3/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
GFER P55789 1/20 0.44

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
Zinc Ion SCHEMBL3125009 0.98 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10TP53TSHR
Methane SCHEMBL28726855 0.96 ALDH1A1 (0.61) ALDH1A1TAS2R38HSD17B10TP53TSHR
Ethane SCHEMBL1330621 0.94 TAS2R38 (0.59) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL26110107 0.93 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10TP53TSHR
Ethane SCHEMBL2849622 0.89 TAS2R38 (0.59) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL3073447 0.79 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10TP53TSHR
Methane SCHEMBL1286316 0.77 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10TP53TSHR
Phenylthiourea SCHEMBL11820844 0.77 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10TP53TSHR
Phenylthiourea SCHEMBL42753 0.77 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10TP53TSHR
Methane SCHEMBL11774994 0.76 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10TP53TSHR

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
US-4560716-A Rust preventing epoxy resin compositions KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 1985-12-24 US claimed
JP-61077058-A None JP disclosed
JP-S6177058-A ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER ORIENT KAGAKU KOGYO KK 1986-04-19 JP disclosed