SCHEMBL14407641

SCHEMBL14407641

C=Cc1ccc(Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAPGEF4 Q8WZA2 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
G6PD P11413 1/20 0.41
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RCE1 Q9Y256 1/20 0.36
TSHR P16473 1/20 0.34

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
SCHEMBL14912564 0.85 HPGD (0.54) ALDH1A1RAPGEF4MEN1KMT2AGAA
SCHEMBL11563830 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL1921445 0.82 RAPGEF4 (0.56) ALDH1A1RAPGEF4MEN1KMT2AGAA
SCHEMBL1697678 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL27683235 0.80 CYP2A6 (0.52) ALDH1A1RAPGEF4MEN1KMT2AGAA
Benzene SCHEMBL7583977 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL5604520 0.78 GAA (0.61) ALDH1A1RAPGEF4MEN1KMT2AGAA
SCHEMBL14301222 0.77 MEN1 (0.65) MEN1KMT2AGAAL3MBTL1TP53
SCHEMBL1921152 0.76 RAPGEF4 (0.50) ALDH1A1RAPGEF4MEN1KMT2AGAA
SCHEMBL29639507 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAAL3MBTL1

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-7273953-B2 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-09-25 US disclosed