SCHEMBL5542771

SCHEMBL5542771

O=C(O)C(Cc1c[nH]cn1)NF

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ ITGB2 P05107 1/20 0.31
▸ ICAM1 P05362 1/20 0.31
▸ ITGAL P20701 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5542778 1.00 CPB2 (0.33) CPB2CPB1ITGB2ICAM1ITGAL
SCHEMBL17380047 0.86 — —
SCHEMBL669445 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL3378638 0.85 CPB2 (0.34) CPB2CPB1ITGB2ICAM1ITGAL
SCHEMBL3378642 0.85 CPB2 (0.34) CPB2CPB1ITGB2ICAM1ITGAL
SCHEMBL669444 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
Hydrochloric Acid SCHEMBL30634622 0.85 CPB2 (0.34) CPB2CPB1SMN1; SMN2
SCHEMBL933574 0.84 CPB2 (0.37) CPB2CPB1
SCHEMBL11301850 0.84 CPB2 (0.37) CPB2CPB1
SCHEMBL60506 0.84 CPB2 (0.37) CPB2CPB1

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
EP-1869174-A2 LYASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2007-12-26 — — EP disclosed
WO-2006099207-A2 LYASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2006-09-21 — — WO disclosed
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