SCHEMBL3711327

SCHEMBL3711327

O=c1[nH]c(=O)n(CCCCCCBr)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
TYMP P19971 3/20 0.33
HTT P42858 3/20 0.33
MPO P05164 2/20 0.33
MAPK10 P53779 1/20 0.32
TSHR P16473 3/20 0.31
TP53 P04637 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 5/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR7 P34969 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2026591 0.89 TYMP (0.38) MAPTATMTYMPHTTMPO
SCHEMBL28354684 0.82 APEX1 (0.34) MAPTATMAPEX1POLB
SCHEMBL678855 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL11364443 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL28426550 0.79 ALDH1A1 (0.44) TYMPHTTTSHRTP53XBP1
SCHEMBL11357728 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL4105918 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL7749303 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL4954143 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR
SCHEMBL29464059 0.79 HTT (0.49) MAPTATMHTTMAPK10TSHR

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
US-9194851-B2 Methods and materials for the detection of melamine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-24 US disclosed
US-20150004713-A1 METHODS AND MATERIALS FOR THE DETECTION OF MELAMINE NATIONAL SCIENCE FOUNDATION 2015-01-01 US disclosed
WO-2010090751-A2 METHODS AND MATERIALS FOR THE DETECTION OF MELAMINE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-12 WO disclosed