Methane

Methane

SCHEMBL9732811

C.O=C1Cc2cc(O)ccc2N1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.65
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
PGR P06401 3/20 0.53
PDK2 Q15119 1/20 0.52
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
CMA1 P23946 2/20 0.50
GAA P10253 2/20 0.50
EPHX2 P34913 1/20 0.50
GRIA1 P42261 2/20 0.49
CACNG8 Q8WXS5 2/20 0.49
TDP2 O95551 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
EIF2AK2 P19525 1/20 0.44
SMYD3 Q9H7B4 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
SCHEMBL19391 0.98 AHR (0.67) AHRPDE3BPDE3APGRPDK2
SCHEMBL31478025 0.82 AHR (0.61) AHRPDE3BPDE3APDK2MAOB
SCHEMBL1833499 0.82 AHR (0.61) AHRPDE3BPDE3APDK2MAOB
SCHEMBL426336 0.81 NPC1 (0.55) AHRPDE3BPDE3AMAOBMAOA
SCHEMBL29853427 0.80 TDP2 (0.51) AHRPDK2MAOBMAOACMA1
SCHEMBL26768740 0.80 TDP2 (0.51) AHRPDK2MAOBMAOACMA1
SCHEMBL31734649 0.80 MAOA (0.55) AHRPDE3BPDE3APDK2MAOB
SCHEMBL5639130 0.80 AHR (0.50) AHRPDE3BPDE3APGRPDK2
SCHEMBL154614 0.78 AHR (1.00) AHRPDE3BPDE3APGRPDK2
SCHEMBL6405990 0.78 MAPT (0.58) AHRMAOBMAOA

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
WO-1992007830-A2 OXINDOLE PEPTIDE ANTAGONISTS PFIZER INC. (US) 1992-05-14 WO disclosed