SCHEMBL10401616

SCHEMBL10401616

COC(=O)c1c(O)ccc(Cc2c[nH]cn2)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ HSP90AA1 P07900 4/20 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
SCHEMBL9646843 0.84 PRKCI (0.35) CA12CA1CA2CA7CA9
SCHEMBL9647120 0.83 PRKCI (0.34) PRKCI
Hydrochloric Acid SCHEMBL10402300 0.82 PRKCI (0.33) PRKCI
SCHEMBL10401974 0.80 ALDH1A1 (0.39) KDM4EHSD17B10MAPTHPGDKMT2A
SCHEMBL10401559 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10402416 0.78 MAPT (0.39) CA12CA1CA2CA7CA9
SCHEMBL9646806 0.76 CA12 (0.32) CA12CA1CA2CA7CA9
SCHEMBL9647525 0.76 P2RX3 (0.34) MAPT
SCHEMBL9646948 0.75 PKMYT1 (0.32) —
SCHEMBL9648217 0.75 PKMYT1 (0.34) PRKCI

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
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 — — US disclosed
Send feedback