SCHEMBL5334232

SCHEMBL5334232

CCc1cc(C(=O)Cn2cnc3ccccc32)c(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.59
▸ ALPG P10696 2/20 0.59
▸ ALPI P09923 1/20 0.59
▸ PLAA Q9Y263 1/20 0.59
▸ CA12 O43570 5/20 0.55
▸ CA1 P00915 5/20 0.55
▸ CA2 P00918 5/20 0.55
▸ CA7 P43166 5/20 0.55
▸ CA9 Q16790 5/20 0.55
▸ CA13 Q8N1Q1 5/20 0.55
▸ CA3 P07451 2/20 0.55
▸ CA4 P22748 2/20 0.55
▸ CA6 P23280 2/20 0.55
▸ CA5A P35218 2/20 0.55
▸ CA14 Q9ULX7 2/20 0.55
▸ CA5B Q9Y2D0 2/20 0.55
▸ CDYL2 Q8N8U2 1/20 0.52
▸ CDYL Q9Y232 1/20 0.52
▸ CDY1; CDY1B Q9Y6F8 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.49

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
SCHEMBL5094972 0.73 CA12 (0.64) ALPLALPGALPIPLAACA12
SCHEMBL18825270 0.73 CA12 (0.71) ALPLALPGALPIPLAACA12
SCHEMBL4284703 0.73 KDM4E (0.61) ALPLALPGALPIPLAACA12
SCHEMBL10881570 0.72 KDM4E (0.65) ALPLALPGALPIPLAACA12
SCHEMBL5329338 0.72 MAPT (0.57) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL6201409 0.71 CA12 (0.68) ALPLALPGALPIPLAACA12
SCHEMBL1718552 0.71 CDYL2 (0.68) ALPLALPGALPIPLAACA12
SCHEMBL1035783 0.71 EGLN3 (0.71) ALPLALPGALPIPLAACA12
SCHEMBL18424833 0.71 CA12 (1.00) ALPLALPGALPIPLAACA12
SCHEMBL7404412 0.70 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTHSD17B10

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
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 — — US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 — — WO claimed
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