Methane

Methane

SCHEMBL1664900

C.CCCCCc1c(C(=O)O)nn2c(C(F)(F)F)cccc12

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.39
▸ FAAH O00519 1/20 0.38
▸ ASAH1 Q13510 1/20 0.37
▸ PLK1 P53350 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ BID P55957 3/20 0.34
▸ BCL2L1 Q07817 2/20 0.34
▸ BAK1 Q16611 2/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ KAT2A Q92830 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ F2 P00734 1/20 0.33

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
SCHEMBL1662930 0.74 KDM4E (0.36) POLBF2PLAUELANE
SCHEMBL1664125 0.71 ELANE (0.33) POLBF2PLAUELANE
SCHEMBL1664651 0.68 ALDH1A1 (0.44) POLBF2PLAUELANE
SCHEMBL28197780 0.64 PLK1 (0.50) MCL1PLK1PLK3BIDBCL2L1
SCHEMBL9334443 0.64 FAAH (0.44) MCL1FAAHPLK1PLK3BID
SCHEMBL27297604 0.63 PLK1 (0.50) MCL1PLK1PLK3BIDBCL2L1
SCHEMBL3691646 0.62 KDM4E (0.52) POLB
SCHEMBL14836221 0.62 KAT8 (0.53) MCL1PLK1PLK3BIDBCL2L1
SCHEMBL8757448 0.62 KAT8 (0.53) MCL1PLK1PLK3BIDBCL2L1
SCHEMBL27944035 0.62 KAT8 (0.53) MCL1PLK1PLK3BIDBCL2L1

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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