Methane

Methane

SCHEMBL28528368

C.O=C(O)Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.46
LMNA P02545 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RGS12 O14924 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
GNAI1 P63096 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL2729354 0.98 TDP1 (0.53) TDP1ATMCYP1A2LMNAKDM4E
SCHEMBL5674809 0.98 TDP1 (0.53) TDP1ATMCYP1A2LMNAKDM4E
SCHEMBL2648717 0.85 LMNA (0.53) TDP1CYP1A2LMNAKDM4EMAPT
SCHEMBL2656422 0.85 LMNA (0.53) TDP1CYP1A2LMNAKDM4EMAPT
SCHEMBL29100216 0.84 ATM (0.51) TDP1ATMCYP1A2LMNAMAPT
SCHEMBL29902892 0.84 ATM (0.51) TDP1ATMLMNAKDM4EMAPT
SCHEMBL28847424 0.84 ATM (0.51) TDP1ATMLMNAKDM4EMAPT
SCHEMBL1865824 0.83 CASP6 (0.55) TDP1CYP1A2LMNAKDM4EMAPT
SCHEMBL10982297 0.83 ATM (0.50) TDP1ATMLMNAMAPTGAA
SCHEMBL4131823 0.80 ATM (0.47) TDP1ATMLMNAMAPTHPGD

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-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN claimed
CN-112225657-B Preparation method of flurbiprofen 北京泰德制药股份有限公司 2023-07-04 CN disclosed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN disclosed