SCHEMBL360223

SCHEMBL360223

Nc1nc2cc(Br)c([N+](=O)[O-])cc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 3/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TYMS P04818 2/20 0.40
RAB9A P51151 2/20 0.39
AXL P30530 1/20 0.39
GFER P55789 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30973163 0.81 GAA (0.68) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL31717819 0.81 GAA (0.68) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL31388416 0.81 GAA (0.68) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL360193 0.81 GAA (0.46) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL24603548 0.81 SMN1; SMN2 (0.55) GAAALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL10598844 0.78 GAA (0.88) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL31132414 0.77 SMN1; SMN2 (0.59) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL8379624 0.77 SMN1; SMN2 (0.59) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL359742 0.76 GAA (0.41) GAAALDH1A1CYP3A4TSHRTDP1
SCHEMBL14809676 0.72 RAB9A (0.54) GAAALDH1A1TSHRMAPTSMN1; SMN2

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