SCHEMBL4784507

SCHEMBL4784507

Cc1cc(P(=O)(O)O)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ HMBS P08397 1/20 0.40
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PGK1 P00558 3/20 0.31
▸ PGK2 P07205 3/20 0.31
▸ DAO P14920 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
SCHEMBL4784505 0.74 CA2 (0.36) CA2CA4CA5A
SCHEMBL3353801 0.67 PGK1 (0.44) CA2CA4CA5ALMNATSHR
SCHEMBL20379784 0.67 CA2 (0.53) CA2CA4CA5ALMNATSHR
SCHEMBL4730855 0.65 HMBS (0.44) NOTUMHMBSLMNATSHRALDH1A1
SCHEMBL27902680 0.63 CA2 (0.39) CA2CA4CA5ALMNATSHR
SCHEMBL13541165 0.63 CA2 (0.48) CA2CA4CA5ALMNATSHR
SCHEMBL16139781 0.63 ALDH1A1 (0.43) CA2CA4CA5ALMNATSHR
SCHEMBL25825774 0.62 HDAC1 (0.47) CA2CA4CA5ALMNATSHR
SCHEMBL3347914 0.62 ALDH1A1 (0.46) CA2CA4CA5ALMNATSHR
SCHEMBL109490 0.62 LMNA (0.71) CA2CA4CA5ALMNATSHR

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
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 — — WO claimed
WO-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 — — WO disclosed
Send feedback