Methane

Methane

SCHEMBL28522344

C.O=C1Nc2ccc(Br)cc2C1=O

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 5/20 0.96
▸ CES1 P23141 5/20 0.96
▸ LRRK2 Q5S007 2/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ MAOA P21397 3/20 0.53
▸ MAOB P27338 3/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CAPN9 O14815 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ BCHE P06276 1/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL29505404 0.98 TGM2 (1.00) TGM2CES1LRRK2AGTR1MAOA
SCHEMBL136581 0.98 TGM2 (1.00) TGM2CES1LRRK2AGTR1MAOA
Water SCHEMBL8100148 0.96 TGM2 (0.96) TGM2CES1LRRK2AGTR1MAOA
Nitrogen SCHEMBL29242330 0.94 TGM2 (0.92) TGM2CES1LRRK2AGTR1MAOA
Alcohol SCHEMBL27855752 0.88 TGM2 (0.80) TGM2CES1LRRK2AGTR1MAOA
SCHEMBL30972546 0.85 TGM2 (0.77) TGM2CES1LRRK2AGTR1CCNB2
Phenol SCHEMBL672900 0.85 TGM2 (0.75) TGM2CES1LRRK2AGTR1MAOA
SCHEMBL28881913 0.82 TGM2 (0.71) TGM2CES1LRRK2AGTR1CA1
SCHEMBL11920848 0.82 TGM2 (0.71) TGM2CES1LRRK2AGTR1CA1
SCHEMBL8557 0.82 CES1 (0.71) TGM2CES1AGTR1MAOAMAOB

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-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 — — CN claimed
CN-109384769-B Synthetic method of R-configuration 3-substituted-3-hydroxy oxindole compound 陕西师范大学 2020-12-22 — — CN disclosed
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