SCHEMBL8196893

SCHEMBL8196893

C=C(OCC)c1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
PTGES O14684 1/20 0.42
PARP1 P09874 1/20 0.40
ALPI P09923 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PLA2G1B P04054 1/20 0.39
DUSP3 P51452 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
POLB P06746 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
GUSB P08236 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TNKS O95271 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
SCHEMBL8187493 0.87 MAPT (0.50) MAPTGAAPTGESALDH1A1MEN1
SCHEMBL8189588 0.83 LMNA (0.43) MAPTGAAPARP1ALDH1A1MEN1
SCHEMBL8196890 0.81 PARP14 (0.42) PARP1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4936663 0.78 MAPT (0.51) MAPTGAAPARP1ALDH1A1MEN1
SCHEMBL31716664 0.78 TNKS2 (0.53) MAPTPARP1ALDH1A1KMT2AGUSB
SCHEMBL8200741 0.78 TNKS2 (0.53) MAPTPARP1ALDH1A1KMT2AGUSB
SCHEMBL7428429 0.77 PARP1 (0.54) MAPTGAAPTGESPARP1ALDH1A1
SCHEMBL8190554 0.76 KDM4E (0.40) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8198084 0.76 KDM4E (0.46) MAPTPARP1ALDH1A1KMT2APOLB
SCHEMBL8195380 0.75 ALDH1A1 (0.39) MAPTGAAALDH1A1MEN1KMT2A

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-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed