SCHEMBL5770669

SCHEMBL5770669

Nc1cncc2onc(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 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
SCHEMBL3114797 0.70 PIK3CD (0.51) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL659899 0.67 CA12 (0.49) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL3113306 0.67 HTT (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL9213082 0.65 IDO1 (0.39) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL17616743 0.64 MAPT (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL3868087 0.64 ALDH1A1 (0.56) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL22409591 0.63 ALDH1A1 (0.60) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL18449325 0.63 KMT2A (0.53) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL28417525 0.63 MAPT (0.51) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL12562311 0.63 TDO2 (0.57) MAPTLMNAKMT2AMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496910-A4 KINASE INHIBITORS ABBOTT LAB (US) 2006-03-29 EP disclosed
EP-1496910-A1 KINASE INHIBITORS Abbott Laboratories (US) 2005-01-19 EP disclosed
WO-2003080064-A1 KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed