Sugi Predict

Sugi Predict / Compounds / SCHEMBL5199377

SCHEMBL5199377

SCHEMBL5199377

CCc1c(Cc2ccccc2)n(COCCN(OC(=O)Oc2ccccc2)C(=O)Oc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UPP1 Q16831 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ NR3C1 P04150 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 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
SCHEMBL5199090 0.90 UPP1 (0.32) UPP1ALDH1A1L3MBTL1HPGD
SCHEMBL6302823 0.89 UPP1 (0.34) UPP1ALDH1A1
SCHEMBL5200738 0.78 ALDH1A1 (0.31) UPP1ALDH1A1L3MBTL1
SCHEMBL5199373 0.77 UPP1 (0.45) UPP1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL598947 0.76 ALDH1A1 (0.45) UPP1ALDH1A1HPGD
SCHEMBL6304553 0.70 KMT2A (0.37) UPP1ALDH1A1
SCHEMBL5198809 0.70 TDP1 (0.39) UPP1ALDH1A1
SCHEMBL8782609 0.69 ATM (0.45) ALDH1A1L3MBTL1MAPT
SCHEMBL5199239 0.69 UPP1 (0.44) UPP1
SCHEMBL5197944 0.68 MEN1 (0.34) UPP1ALDH1A1MAPT

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
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 — — EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 — — US disclosed