SCHEMBL28048060

SCHEMBL28048060

NCc1ccc(-c2c(Nc3ccccc3)ccc(-c3ccc(N)cc3)c2-c2ccc(CN)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALOX15 P16050 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
KDM4E B2RXH2 4/20 0.37
TP53 P04637 1/20 0.37
APP P05067 1/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL7775804 0.89 MAPT (0.48) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL29755964 0.87 MAPT (0.56) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL28016764 0.83 MAPT (0.44) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL27957227 0.80 HSD11B1 (0.40) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL3461985 0.79 NPSR1 (0.46) MAPTALDH1A1L3MBTL1HTTGAA
SCHEMBL27989312 0.79 TAAR1 (0.52) TAAR1LOXL2CSNK2A1HRH3SGK1
SCHEMBL27939797 0.79 TAAR1 (0.52) ALDH1A1TAAR1CYP3A4TDP1LOXL2
SCHEMBL7759493 0.77 MAPT (0.40) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL29755945 0.77 MAPT (0.50) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL31265542 0.76 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1HTTCYP1A2

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
CN-103314461-B There is the optoelectronic component of doped layer HELIATEK GMBH (DE) 2016-02-17 CN disclosed