SCHEMBL5329338

SCHEMBL5329338

CCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ LMNA P02545 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ TSHR P16473 2/20 0.57
▸ SHBG P04278 1/20 0.53
▸ GAA P10253 6/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALOX15 P16050 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PAX8 Q06710 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL17933571 0.73 HDAC6 (0.72) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL5334232 0.72 ALPL (0.59) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL13856738 0.72 MAPT (0.85) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL13856737 0.72 MAPT (1.00) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL13649430 0.72 HDAC6 (0.61) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL757031 0.71 RAB9A (0.62) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL30037937 0.71 RAB9A (0.62) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL7018296 0.70 RAB9A (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10035832 0.70 HDAC6 (0.58) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL1167938 0.69 MAPT (0.66) MAPTKDM4ELMNAALDH1A1HPGD

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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