Methane

Methane

SCHEMBL27508397

C.O=[N+]([O-])c1ccc2c(c1)CCN2

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.57
ADRA2A P08913 3/20 0.57
MAPT P10636 5/20 0.51
ALDH1A1 P00352 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
CTSL P07711 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TDP2 O95551 1/20 0.43
ACHE P22303 1/20 0.43
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
ADRA2B P18089 2/20 0.42

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
SCHEMBL200716 0.98 PNMT (0.58) PNMTADRA2AMAPTALDH1A1SIRT2
Ammonia Solution, Strong SCHEMBL28209706 0.97 PNMT (0.57) PNMTADRA2AMAPTALDH1A1SIRT2
SCHEMBL27408384 0.93 PNMT (0.54) PNMTADRA2AMAPTALDH1A1SIRT2
Butane SCHEMBL27459660 0.91 PNMT (0.51) PNMTADRA2AMAPTALDH1A1SIRT2
Sulfuric Acid SCHEMBL29269875 0.91 PNMT (0.51) PNMTADRA2AMAPTALDH1A1SIRT2
Acetaldehyde SCHEMBL27415337 0.91 PNMT (0.51) PNMTADRA2AMAPTALDH1A1SIRT2
SCHEMBL28171953 0.89 SIRT2 (0.52) PNMTADRA2AMAPTALDH1A1SIRT2
Propene SCHEMBL27474388 0.89 PNMT (0.50) PNMTADRA2AMAPTALDH1A1SIRT2
Acetic Acid SCHEMBL28007453 0.89 SIRT2 (0.52) PNMTADRA2AMAPTALDH1A1SIRT2
Pyrimidine SCHEMBL28303381 0.89 ADRA2A (0.50) PNMTADRA2AMAPTALDH1A1SIRT2

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
CN-104812753-A Substituted pyridopyrazines as syk inhibitors HUTCHISON MEDIPHARMA LTD 2015-07-29 CN disclosed
CN-1148367-C Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same ��ѧ�о���Ӧ����ѯ��˾ 2004-05-05 CN disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 CN disclosed