Methane

Methane

SCHEMBL28674356

C.CC(C)Nc1nc(S)ncc1CO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
PDE10A Q9Y233 1/20 0.34
SLC29A1 Q99808 1/20 0.33
HCAR3 P49019 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APP P05067 1/20 0.30
SYK P43405 1/20 0.30

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
Methane SCHEMBL28679193 0.83 TRPM8 (0.38) TRPM8
SCHEMBL1521541 0.76 HTT (0.48) TRPM8PDE10ASLC29A1KDM4EALDH1A1
Methane SCHEMBL28677585 0.73 FLT3 (0.32) SYK
Methane SCHEMBL28688768 0.72 HCAR3 (0.32) TRPM8HCAR3
Methane SCHEMBL28660726 0.71 LRRK2 (0.46) PDE10AKDM4EALDH1A1HPGDHSD17B10
Methane SCHEMBL28662647 0.69 L3MBTL1 (0.38) HCAR3ALDH1A1
SCHEMBL22860104 0.67 HTT (0.46) TRPM8HCAR3ALDH1A1HSD17B10SYK
SCHEMBL12877484 0.66 LMNA (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23142016 0.65 HTT (0.46) TRPM8HCAR3KDM4EALDH1A1SYK
SCHEMBL23142017 0.65 HTT (0.46) TRPM8HCAR3KDM4EALDH1A1SYK

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-115768775-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-03-07 CN disclosed
CN-113845528-A IDH mutant inhibitor and application thereof 微境生物医药科技(上海)有限公司 2021-12-28 CN disclosed