SCHEMBL5310328

SCHEMBL5310328

Cc1ccc(Oc2ncccc2C(=O)NC(=O)c2ccccc2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
PNLIP P16233 1/20 0.57
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK8 P45983 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5216339 0.93 GAA (0.63) GAAPNLIPALDH1A1L3MBTL1TDP1
SCHEMBL5216347 0.82 ALDH1A1 (0.68) GAAPNLIPALDH1A1TDP1POLB
SCHEMBL8730078 0.79 TDP1 (0.65) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL2781160 0.78 GAA (0.67) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL5213935 0.77 GAA (0.62) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6455377 0.77 RAB9A (0.74) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL8730084 0.76 TDP1 (0.70) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL26054536 0.75 GAA (0.60) GAAALDH1A1L3MBTL1TDP1MEN1
SCHEMBL6063263 0.75 CNR1 (0.58) ALDH1A1KMT2AKDM4E
SCHEMBL4087178 0.75 MAPK8 (0.69) KMT2AMAPK8

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