SCHEMBL5220216

SCHEMBL5220216

Cc1ccc(-c2c(N)ccc(B(O)O)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
ACHE P22303 2/20 0.34
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
HSD17B10 Q99714 3/20 0.32
USP7 Q93009 1/20 0.32

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
SCHEMBL4248242 0.83 TDP1 (0.48) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL1400375 0.82 MGLL (0.39) CA2SMN1; SMN2TDP1CYP3A4ALOX15
SCHEMBL353048 0.75 TDP1 (0.41) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL5573183 0.72 ALDH1A1 (0.41) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL27770212 0.72 CYP2A6 (0.39) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL27458150 0.70 CYP3A4 (0.48) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL25393964 0.69 TDP1 (0.39) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL3468830 0.69 ACHE (0.50) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL870117 0.69 SMN1; SMN2 (0.35) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL3784363 0.69 ALOX15 (0.54) CA2LPLLIPGSMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542962-A4 MONOAMINOFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KK (JP) 2007-08-08 EP disclosed
EP-1542962-A1 MONOAMINOFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME Canon Kabushiki Kaisha (JP) 2005-06-22 EP disclosed
WO-2004020388-A1 MONOAMINO COMPOUND AND ORGANIC LUMINESCENCE DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-03-11 WO disclosed
WO-2004020387-A1 MONOAMINOFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-03-11 WO disclosed