SCHEMBL27770400

SCHEMBL27770400

Nc1cc2ccccc2cc1OC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
LMNA P02545 2/20 0.49
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP10 Q53GL7 1/20 0.49
IDO1 P14902 1/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
SLC6A3 Q01959 1/20 0.46
JAK2 O60674 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL10036520 0.87 KMT2A (0.67) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL8782746 0.81 KMT2A (0.59) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL27639137 0.79 KMT2A (0.51) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL17940093 0.79 ESR1 (0.64) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL28320252 0.79 MAPT (0.51) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL31119217 0.78 KMT2A (0.63) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL6170616 0.78 KMT2A (0.63) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL27518796 0.78 MAPT (0.51) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL19697001 0.77 KMT2A (0.54) KMT2AMAPTMEN1TDP1SMN1; SMN2
SCHEMBL17940158 0.77 KMT2A (0.54) KMT2AMAPTMEN1TDP1SMN1; SMN2

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
CN-101641423-A Organometallic compound for electroluminescence and organic electroluminescent device using the same GRACEL DISPLAY INC KR 2010-02-03 CN disclosed