SCHEMBL7606944

SCHEMBL7606944

N#CCOC(=O)c1ccc(CNC(=O)CCSSc2ccccn2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
SRC P12931 1/20 0.42
RAB9A P51151 1/20 0.38
ERCC1 P07992 2/20 0.36
ERCC4 Q92889 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7605541 0.84 EGFR (0.52) EGFRSRCRAB9AERCC1ERCC4
SCHEMBL23420267 0.72 ALDH1A1 (0.47) RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6292886 0.71 EGFR (0.38) EGFRSRCERCC1ERCC4L3MBTL1
SCHEMBL24648974 0.71 ALDH1A1 (0.55) RAB9AL3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7605137 0.69 TRPV1 (0.44) HPGDSMN1; SMN2ALDH1A1
SCHEMBL6292860 0.69 EGFR (0.39) EGFRSRCERCC1ERCC4L3MBTL1
SCHEMBL155342 0.68 HPGD (0.57) RAB9AL3MBTL1HPGDHDAC1HDAC2
SCHEMBL18510178 0.68 HPGD (0.51) RAB9AL3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL29380577 0.68 HPGD (0.57) RAB9AL3MBTL1HPGDHDAC1HDAC2
SCHEMBL10031015 0.68 HPGD (0.51) RAB9AL3MBTL1HPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed