SCHEMBL6913843

SCHEMBL6913843

Cc1ccc(N=Cc2cccc(C=Nc3c(C)cccc3C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.42
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PTGS2 P35354 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6913840 1.00 NR4A1 (0.42) NR4A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL25430564 0.92 NR4A1 (0.41) NR4A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7063554 0.89 MAOA (0.50) NR4A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7063558 0.89 MAOA (0.50) NR4A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5589354 0.88 CTH (0.36) NR4A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5589346 0.88 CTH (0.36) NR4A1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7176438 0.86 NR4A1 (0.52) NR4A1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7172182 0.86 NR4A1 (0.52) NR4A1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7177054 0.86 NR4A1 (0.52) NR4A1MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7176295 0.86 NR4A1 (0.52) NR4A1MAPTKMT2AMEN1ALDH1A1

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-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed