SCHEMBL3943977

SCHEMBL3943977

CCCCCCCCCCCCCCCCN(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PLK1 P53350 1/20 0.30

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
SCHEMBL3943975 1.00 MAPT (0.35) MAPTKMT2AMAPK1L3MBTL1THRA
SCHEMBL3937768 0.88 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3937769 0.88 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL4488274 0.88 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL4494848 0.85 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935261 0.85 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935258 0.85 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL4490205 0.84 MAPT (0.36) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935326 0.84 MAPT (0.36) MAPTKMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL3935329 0.84 MAPT (0.36) MAPTKMT2AMAPK1L3MBTL1ALDH1A1

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
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed