SCHEMBL9922331

SCHEMBL9922331

COCc1ccc(-c2nnc(C3CCC(c4ccc(O)cc4)CC3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15B O15296 1/20 0.43
CYP2C19 P33261 1/20 0.41
FLT3 P36888 2/20 0.39
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
ESR2 Q92731 3/20 0.39
POLB P06746 1/20 0.39
GUSB P08236 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LRRK2 Q5S007 2/20 0.38

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
SCHEMBL9921897 0.99 ALDH1A1 (0.46) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL9921896 0.79 GUSB (0.49) ALDH1A1MAPTGUSBNPC1RAB9A
SCHEMBL9918915 0.77 ALDH1A1 (0.53) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL9918916 0.76 LRRK2 (0.53) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL14518052 0.75 LRRK2 (0.61) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL2388754 0.75 CA1 (0.56) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL2385790 0.74 ALDH1A1 (0.50) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL31375525 0.72 ALDH1A1 (0.59) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL19427972 0.72 POLB (0.62) ALDH1A1CA1CA2MAPTMAPK1
SCHEMBL29133055 0.71 ALDH1A1 (0.52) ALDH1A1CA1CA2MAPTMAPK1

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
US-20120148755-A1 ORGANIC EL ELEMENT AND METHOD OF MANUFACTURING THE SAME, ORGANIC EL DISPLAY DEVICE USING THE ELEMENT, ORGANIC EL MATERIAL, AND SURFACE EMISSION DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE MATERIAL FUJITSU LIMITED (JP) 2012-06-14 US disclosed