SCHEMBL360193

SCHEMBL360193

O=[N+]([O-])c1cc2sc(Cl)nc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MMP13 P45452 1/20 0.36
TYMS P04818 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE7A Q13946 2/20 0.35
PDE7B Q9NP56 2/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
FSCN1 Q16658 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL24603548 0.81 SMN1; SMN2 (0.55) GAAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL360223 0.81 GAA (0.68) GAAKMT2ATYMSTSHRALDH1A1
SCHEMBL14809676 0.74 RAB9A (0.54) GAAKMT2ATSHRMAPK1ALDH1A1
SCHEMBL9306173 0.73 ALDH1A1 (0.45) GAAKMT2AMEN1MMP13ALDH1A1
SCHEMBL19709633 0.71 ILK (0.40) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL617121 0.71 RIPK1 (0.52) KMT2AMEN1MMP13TSHRALDH1A1
SCHEMBL146922 0.71 SMN1; SMN2 (0.67) KMT2AMEN1MMP13TSHRALDH1A1
SCHEMBL359742 0.70 GAA (0.41) GAAKMT2AMEN1TYMSTSHR
SCHEMBL31357824 0.70 NQO2 (0.48) KMT2AMEN1MMP13TSHRMAPK1
Water SCHEMBL27718168 0.70 SMN1; SMN2 (0.65) KMT2AMEN1MMP13TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed