SCHEMBL8280385

SCHEMBL8280385

Cn1nc([N+](=O)[O-])c(NCCO)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7780070 0.80 MAPT (0.39) MAPTALDH1A1LMNAPOLBATM
SCHEMBL8280386 0.74 MAPT (0.46) MAPTALDH1A1LMNAPOLBATM
SCHEMBL9480370 0.66 MAPT (0.43) MAPTALDH1A1POLBATMMEN1
SCHEMBL14899780 0.66 MAPT (0.41) MAPTALDH1A1LMNAPOLBATM
SCHEMBL9638790 0.63 MAPT (0.49) MAPTALDH1A1POLBATMMEN1
SCHEMBL28848233 0.62 ALDH1A1 (0.43) MAPTALDH1A1LMNAPOLBATM
SCHEMBL8919153 0.62 ALDH1A1 (0.39) MAPTALDH1A1LMNAPOLBATM
SCHEMBL10811620 0.62 MAPT (0.42) MAPTALDH1A1POLBATMMEN1
SCHEMBL4776141 0.61 POLB (0.43) MAPTALDH1A1POLBATMMEN1
SCHEMBL9498739 0.61 MAPT (0.69) MAPTALDH1A1L3MBTL1MEN1MAPK1

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-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 WO disclosed