SCHEMBL5309692

SCHEMBL5309692

Nc1oc2c(CN3CCCCCC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.81
HPGD P15428 11/20 0.81
ALDH1A1 P00352 12/20 0.79
MAPT P10636 4/20 0.79
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
HTT P42858 2/20 0.79
RAB9A P51151 1/20 0.79
POLB P06746 3/20 0.75
LMNA P02545 3/20 0.75
MAPK1 P28482 2/20 0.75
HSD17B10 Q99714 6/20 0.53
GLA P06280 4/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KLK7 P49862 1/20 0.49
CASP1 P29466 2/20 0.47
RCE1 Q9Y256 2/20 0.47
CASP7 P55210 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL17774416 0.89 KDM4E (0.68) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL17774411 0.88 KDM4E (0.69) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL16410894 0.82 ALDH1A1 (0.74) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL17774414 0.81 KDM4E (0.67) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL16410877 0.78 MAPT (0.65) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL16410991 0.76 KDM4E (0.84) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL17774410 0.76 KDM4E (0.70) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL7363397 0.73 ERAP1 (0.69) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL16410895 0.72 KDM4E (0.85) KDM4EHPGDALDH1A1MAPTMEN1
SCHEMBL17774444 0.72 ALDH1A1 (0.57) KDM4EHPGDALDH1A1MAPTMEN1

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