SCHEMBL5190400

SCHEMBL5190400

O=C1CC(C(=O)NCc2ccco2)CN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MEN1 O00255 2/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 3/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 4/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PABPC1 P11940 1/20 0.48
EIF4H Q15056 1/20 0.48

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
SCHEMBL4473275 0.83 ALDH1A1 (0.60) KMT2AALDH1A1TDP1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL21640577 0.82 ALDH1A1 (0.58) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL5123195 0.80 TDP1 (0.69) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL2994259 0.78 ALDH1A1 (0.57) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL9906308 0.78 ALDH1A1 (0.57) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL5191646 0.78 ALDH1A1 (0.59) KMT2AALDH1A1MEN1HPGDHSD17B10
SCHEMBL5119694 0.77 TDP1 (0.66) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL5124500 0.77 TDP1 (0.66) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL18977797 0.77 TDP1 (0.62) KMT2AALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL5418744 0.76 TDP1 (0.64) KMT2AALDH1A1TDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed