SCHEMBL8280386

SCHEMBL8280386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 5/20 0.46
ATM Q13315 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
XBP1 P17861 1/20 0.35
PAX8 Q06710 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL28848233 0.78 ALDH1A1 (0.43) MAPTLMNAATMHTTMEN1
SCHEMBL8442657 0.76 ALDH1A1 (0.52) MAPTLMNAATMHTTMEN1
SCHEMBL8280385 0.74 MAPT (0.43) MAPTLMNAATMHTTMEN1
SCHEMBL29452180 0.70 ALDH1A1 (0.54) MAPTLMNAATMMEN1KMT2A
SCHEMBL10636976 0.70 KAT2B (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17023410 0.67 LMNA (0.37) MAPTLMNAATMHTTMEN1
SCHEMBL18797099 0.67 KAT2B (0.37) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3060884 0.67 KAT2B (0.37) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10639676 0.67 KAT2B (0.37) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8536523 0.67 KAT2B (0.37) MAPTMEN1KMT2AALDH1A1KDM4E

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