SCHEMBL3276647

SCHEMBL3276647

c1ccc(NN=C(CCC(=NNc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.59
MAPT P10636 7/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 5/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 2/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.45

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
SCHEMBL2681227 1.00 GAA (0.59) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL16266288 0.86 MAPT (0.53) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL29407184 0.86 MAPT (0.48) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL11725218 0.84 GAA (0.51) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL31213370 0.84 MAPT (0.68) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL27979741 0.82 CTSL (0.60) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL31213405 0.82 CTSL (0.60) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL3213326 0.76 ALDH1A1 (0.48) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL11650208 0.76 GAA (0.48) GAAMAPTKMT2AALDH1A1MEN1
SCHEMBL934433 0.76 GAA (0.61) GAAMAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691929-B2 Flame retardant compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-06 US disclosed
US-20090186970-A1 Flame retardant compositions RONAN NICOLAS 2009-07-23 US disclosed
EP-1668073-B1 FLAME RETARDANT COMPOSITIONS CIBA HOLDING INC (CH) 2009-04-29 EP disclosed
US-20070029531-A1 Flame retardant compositions CIBA SPECIALTY CHEMICALS CORP. 2007-02-08 US disclosed