SCHEMBL11910285

SCHEMBL11910285

C=CCc1cc(-c2c(-c3ccncc3)c(-c3ccnc(CC=C)c3)c(-c3ccncc3)c(-c3ccnc(CC=C)c3)c2-c2ccncc2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
IMPDH2 P12268 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADORA2A P29274 2/20 0.30
ADORA2B P29275 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL16575599 0.90 SREBF2 (0.41) MAPTKDM4EALDH1A1CYP3A4LMNA
SCHEMBL8953846 0.89 MAPT (0.41) MAPTKDM4EALDH1A1HPGDCYP3A4
SCHEMBL9301260 0.85 GABRA1 (0.39) MAPTKDM4EALDH1A1HPGDGABRA1
SCHEMBL9403340 0.79 PDE4A (0.36) GABRA1GABRB2
SCHEMBL5190162 0.76 TOP1 (0.44)
SCHEMBL19860375 0.74 HDAC8 (0.36)
SCHEMBL2556929 0.74 XDH (0.45) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL23139999 0.71 UHRF1 (0.45) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL324742 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL629846 0.71 XDH (0.38) MAPTKDM4EALDH1A1HPGDCYP3A4

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-20120193619-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND LIGHTING DEVICE USING SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2012-08-02 US disclosed
US-20120193619-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND LIGHTING DEVICE USING SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2012-08-02 US disclosed