SCHEMBL7537112

SCHEMBL7537112

Nc1ccc(CO)cc1.Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.49
LGMN Q99538 1/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HTT P42858 4/20 0.47
KMT2A Q03164 4/20 0.47
ALOX15 P16050 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 3/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL1716021 0.91 CHKA (0.56) CHKALGMNMAPTALDH1A1KDM4E
SCHEMBL10895294 0.87 SLC13A5 (0.47) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL4689823 0.86 ALDH1A1 (0.52) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL20631 0.85 MAPT (0.61) LGMNMAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL16209945 0.83 MAPT (0.65) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL20631313 0.83 LMNA (0.61) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL19822996 0.81 CHKA (0.47) CHKAMAPTALDH1A1KDM4EHTT
SCHEMBL14320289 0.80 PIK3R1 (0.59) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL10895297 0.78 ALDH1A1 (0.45) LGMNMAPTALDH1A1KDM4EHTT
SCHEMBL4386393 0.78 MAPT (0.64) LGMNMAPTALDH1A1KDM4EHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed