Methane

Methane

SCHEMBL28263281

Brc1ccc(-c2nnco2)cc1.[13CH4]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.62
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TLR8 Q9NR97 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
DGAT1 O75907 1/20 0.46

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
SCHEMBL1194538 0.98 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL17694561 0.87 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL2610163 0.84 NOTUM (0.75) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL28305166 0.82 NOTUM (0.58) NOTUMKDM4EALDH1A1LMNATLR8
Methane SCHEMBL28281529 0.79 NOTUM (0.96) NOTUMKDM4EALDH1A1LMNATLR8
Ethoxycarbonyl Group SCHEMBL29082677 0.78 NOTUM (0.47) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL9096052 0.77 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL860256 0.77 NOTUM (0.64) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL14814390 0.77 NOTUM (1.00) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL5571187 0.77 NOTUM (0.91) NOTUMKDM4EALDH1A1LMNATLR8

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-109232463-A Using DMF as one step of carbon source construct 2-(4- bromophenyl) -1,3,4- oxadiazoles method 桂林理工大学 2019-01-18 CN disclosed