SCHEMBL18430941

SCHEMBL18430941

CCCCc1ccc(/N=C/c2ccc(C)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 3/20 0.56
THRB P10828 2/20 0.56
MAPK1 P28482 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 5/20 0.50
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL16101744 0.82 ALDH1A1 (0.77) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16101747 0.82 ALDH1A1 (0.77) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3620867 0.79 CYP3A4 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL11524101 0.79 CYP3A4 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6635785 0.79 CYP3A4 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16118373 0.77 KMT2A (0.70) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL14571430 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16118256 0.77 KMT2A (0.70) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL5665730 0.77 CYP3A4 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL5665735 0.77 CYP3A4 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1

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-9556137-B2 Methods for preparing alkylfurans MICROMIDAS, INC. (US) 2017-01-31 US disclosed