SCHEMBL4437671

SCHEMBL4437671

CCN(C(C)C)C(C)C.CCN(C(C)C)C(C)C.O=[N+]([O-])c1ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 6/20 0.39
RORC P51449 1/20 0.38
CA9 Q16790 3/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
ATM Q13315 2/20 0.36
CRHBP P24387 2/20 0.36

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
SCHEMBL4434764 0.88 MAPT (0.45) MAPTALDH1A1RORCCA9MEN1
SCHEMBL2761698 0.82 KMT2A (0.37) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL5835749 0.74 MAPT (0.73) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28120009 0.73 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ACA1
SCHEMBL2762099 0.71 SMN1; SMN2 (0.45) MAPTALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL3979891 0.71 MAPT (0.64) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3691462 0.71 MAPT (0.64) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13086215 0.71 CNR2 (0.41) MAPTALDH1A1CA9MEN1KMT2A
SCHEMBL7024513 0.71 MAPT (0.40) MAPTALDH1A1CA9MEN1KMT2A
4-Nitrobenzoic Acid SCHEMBL16053229 0.71 TDP1 (0.64) ALDH1A1MEN1KMT2ACA1CA2

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-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed