SCHEMBL10126516

SCHEMBL10126516

Bc1cc(C(=O)NCCS(=O)(=O)O)nc(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SCN9A Q15858 3/20 0.35
ULK1 O75385 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RCE1 Q9Y256 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL178236 0.84 ACP1 (0.38) LMNASCN9AULK1CA1CA2
SCHEMBL17689338 0.84 HDAC3 (0.38) LMNASCN9AULK1ALDH1A1MEN1
SCHEMBL10127277 0.84 MAOB (0.39) LMNACA1CA2MRGPRX4ALDH1A1
SCHEMBL21524633 0.84 CYP2D6 (0.41) LMNASCN9AULK1CA1CA2
SCHEMBL25756627 0.81 TP53 (0.35) LMNACA1CA2MRGPRX4ALDH1A1
SCHEMBL22328739 0.80 HPGD (0.37) LMNASCN9AULK1ALDH1A1HPGD
SCHEMBL178271 0.80 LMNA (0.57) LMNACA1CA2ALDH1A1RCE1
SCHEMBL178133 0.77 CYP2D6 (0.44) SCN9AULK1CA1CA2ALDH1A1
SCHEMBL10127147 0.77 EGLN1 (0.43) LMNACA1CA2
SCHEMBL15580854 0.76 TP53 (0.37) LMNAALDH1A1KMT2AHPGDL3MBTL1

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
WO-2012027623-A2 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed
WO-2012027618-A2 FUNCTIONALIZED CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 WO disclosed