SCHEMBL13250577

SCHEMBL13250577

c1ccc(N(c2cccs2)c2ccc(N(c3ccccc3)c3cccs3)c3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL15391109 0.86 SIGMAR1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13320957 0.85 ALOX5 (0.31) ALOX5PTGS2
SCHEMBL13320965 0.85 ALOX5 (0.31) ALOX5PTGS2
SCHEMBL20386511 0.84 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2681787 0.84 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13250583 0.83 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13320959 0.79 CYP1A2 (0.33) ALDH1A1CYP1A2
SCHEMBL28452114 0.79 ALOX5 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9551640 0.79 ALDH1A1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10110902 0.77 ALDH1A1 (0.44) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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
US-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 US disclosed
US-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 US disclosed