SCHEMBL7968549

SCHEMBL7968549

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
NQO2 P16083 1/20 0.40
AR P10275 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPC1 O15118 3/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.38
BRAF P15056 1/20 0.38
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
PTPN1 P18031 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL6027607 0.91 NQO2 (0.39) MAPTNQO2ARMEN1KMT2A
SCHEMBL6027636 0.86 ALDH1A1 (0.36) MAPTNQO2MEN1KMT2ANPC1
SCHEMBL7971494 0.84 ALDH1A1 (0.33) MAPTARMEN1KMT2AMAPK1
SCHEMBL7968407 0.82 POLB (0.46) MAPTARMEN1KMT2ANPC1
SCHEMBL7965276 0.80 HSPB1 (0.40) MAPTARMEN1KMT2ANPC1
SCHEMBL7968467 0.79 MAPT (0.39) MAPTARMEN1KMT2ANPC1
SCHEMBL7971836 0.79 APP (0.49) MAPTARMEN1KMT2ANPC1
SCHEMBL2615714 0.78 MAPT (0.55) MAPTNQO2MEN1KMT2ANPC1
SCHEMBL6027883 0.78 KDM4E (0.34) MAPTNQO2MEN1KMT2ANPC1
SCHEMBL7972386 0.77 MAPT (0.40) MAPTMEN1KMT2ANPC1ALDH1A1

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed