SCHEMBL21753767

SCHEMBL21753767

Nc1c2ccccc2c(-c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ACHE P22303 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL20403880 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL132322 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL29512028 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL14446782 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL27968847 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL134731 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL31142138 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL2185121 0.80 TDP1 (0.34) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL1264238 0.79 ACHE (0.41) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL10128623 0.79 ACHE (0.39) ALDH1A1KDM4EMAPTTDP1L3MBTL1

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-2020039708-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT 国立大学法人九州大学 2020-02-27 WO disclosed