SCHEMBL4058288

SCHEMBL4058288

c1ccc(Nc2ccc(Nc3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)c(-c3cccc4ccccc34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ATM Q13315 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
FADS1 O60427 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL31307955 0.89 ALDH1A1 (0.41) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL15677228 0.87 ALDH1A1 (0.38) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL1034193 0.84 ALDH1A1 (0.49) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL22788187 0.84 ALDH1A1 (0.40) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL2326478 0.84 ALDH1A1 (0.40) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL4058291 0.83 ALDH1A1 (0.57) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL25323332 0.83 ALDH1A1 (0.47) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL13190705 0.83 ALDH1A1 (0.47) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL6817030 0.83 HSD17B10 (0.46) CDC25BALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL18055092 0.83 HSD17B10 (0.46) CDC25BALDH1A1HPGDCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109898-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME EASTMAN KODAK COMPANY (US) 2009-10-21 EP disclosed
WO-2008094399-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME EASTMAN KODAK COMPANY (US) 2008-08-07 WO disclosed