SCHEMBL7605541

SCHEMBL7605541

O=C(CCSSc1ccccn1)NCc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
ERCC1 P07992 4/20 0.45
ERCC4 Q92889 4/20 0.45
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
SRC P12931 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
SELE P16581 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7606944 0.84 EGFR (0.42) EGFRERCC1ERCC4HPGDRAB9A
SCHEMBL23420267 0.78 ALDH1A1 (0.47) HPGDRAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL24648974 0.78 ALDH1A1 (0.55) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL155342 0.75 HPGD (0.57) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL29380577 0.75 HPGD (0.57) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL18856468 0.75 HPGD (0.51) HPGDRAB9AALDH1A1SMN1; SMN2TDP1
SCHEMBL10031015 0.75 HPGD (0.51) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL18510178 0.75 HPGD (0.51) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL29276718 0.74 HPGD (0.57) HPGDRAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL16948529 0.74 HPGD (0.56) HPGDRAB9AALDH1A1SMN1; SMN2TDP1

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