SCHEMBL3461985

SCHEMBL3461985

Cc1cccc(Nc2ccc(-c3ccc(N)cc3)c(-c3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ADORA2A P29274 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
P2RY6 Q15077 1/20 0.41
P2RY12 Q9H244 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 5/20 0.40
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 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
Ammonia Solution, Strong SCHEMBL5984034 0.91 NPSR1 (0.53) NPSR1ADORA2AMAPTSMN1; SMN2ABCB1
SCHEMBL29352577 0.90 NPSR1 (0.57) NPSR1ADORA2AMAPTSMN1; SMN2ABCB1
SCHEMBL530475 0.90 NPSR1 (0.57) NPSR1ADORA2AMAPTSMN1; SMN2ABCB1
SCHEMBL28016764 0.87 MAPT (0.44) MAPTSMN1; SMN2P2RY2P2RY4L3MBTL1
SCHEMBL7775804 0.86 MAPT (0.48) MAPTSMN1; SMN2L3MBTL1TP53ALDH1A1
SCHEMBL20893300 0.85 NPSR1 (0.63) NPSR1ADORA2AMAPTSMN1; SMN2ABCB1
SCHEMBL30145063 0.85 NPSR1 (0.63) NPSR1ADORA2AMAPTSMN1; SMN2ABCB1
SCHEMBL9058983 0.83 CYP3A4 (0.49) NPSR1MAPTABCB1ABCG2L3MBTL1
SCHEMBL9058986 0.83 CYP3A4 (0.49) NPSR1MAPTABCB1ABCG2L3MBTL1
SCHEMBL29353544 0.83 NPSR1 (0.50) NPSR1MAPTSMN1; SMN2ABCB1ABCG2

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
EP-2249410-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND MANUFACTURING METHOD AND USES THEREFOR Showa Denko K.K. (JP) 2010-11-10 EP disclosed