SCHEMBL17994056

SCHEMBL17994056

CC(C)(Br)C(=O)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.57
MGAM O43451 9/20 0.57
AMY1A P0DUB6 9/20 0.57
SI P14410 9/20 0.57
MGAM2 Q2M2H8 9/20 0.57
KMT2A Q03164 3/20 0.57
F2 P00734 2/20 0.57
SLC9A1 P19634 2/20 0.57
HPGD P15428 1/20 0.57
F12 P00748 7/20 0.55
DGAT1 O75907 1/20 0.54
KCNMA1 Q12791 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MIF P14174 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL535509 0.88 GAA (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL6402628 0.85 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL17994057 0.85 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL4963445 0.81 GAA (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL535054 0.79 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL4250719 0.78 GAA (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.78 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL20664729 0.78 ASAH1 (0.56) GAAMGAMAMY1ASIMGAM2
SCHEMBL1971916 0.78 GAA (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL14300892 0.78 GAA (0.54) GAAMGAMAMY1ASIMGAM2

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
US-9765169-B2 Functionalized polymer hybrids CARNEGIE MELLON UNIVERSITY (US) 2017-09-19 US disclosed
EP-3053908-A1 METHOD FOR PRODUCING alpha-HALOGENOACETOPHENON COMPOUND, AND alpha-BROMOACETOPHENON COMPOUND FUJIFILM Corporation (JP) 2016-08-10 EP disclosed