SCHEMBL7089470

SCHEMBL7089470

NC(=O)c1ccc(N2CCOCC2)c(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HTT P42858 3/20 0.45
PRKDC P78527 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
YWHAG P61981 1/20 0.43
KMT2A Q03164 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL30798758 0.79 HPGD (0.45) KDM4EHTTMAPTHSD17B10ALOX15
SCHEMBL29410870 0.77 NPC1 (0.70) KDM4EMAPTMEN1KMT2AAURKA
SCHEMBL325422 0.77 NPC1 (0.70) KDM4EMAPTMEN1KMT2AAURKA
SCHEMBL79339 0.76 KDM4E (0.74) KDM4EHTTMAPTHSD17B10ALOX15
SCHEMBL3120753 0.76 ALDH1A1 (0.54) KDM4EHTTMAPTHSD17B10ALOX15
SCHEMBL23059699 0.76 MAPT (0.56) KDM4EHTTPRKDCMAPTHSD17B10
Bromide SCHEMBL6256143 0.75 NPC1 (0.68) KDM4EMAPTMEN1KMT2AAURKA
SCHEMBL7449213 0.75 AKR1C3 (0.56) KDM4EHTTPRKDCMAPTHSD17B10
SCHEMBL6073272 0.74 MAPT (0.47) KDM4EHTTMAPTHSD17B10ALOX15
SCHEMBL4992024 0.73 PRKDC (0.73) KDM4EHTTPRKDCMAPTALDH1A1

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-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed