SCHEMBL20224311

SCHEMBL20224311

c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)ccc3n2-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
PTGER4 P35408 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18156833 0.92 ESR1 (0.36) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL18156736 0.92 ESR1 (0.40) ESR1ESR2MEN1HSP90AA1MAPT
SCHEMBL16855612 0.92 ESR1 (0.40) ESR1ESR2MEN1HSP90AA1MAPT
SCHEMBL20224309 0.92 RECQL (0.35) PTGER4ESR1ESR2
SCHEMBL16855494 0.91 RECQL (0.36) PTGER4ESR1ESR2MEN1HSP90AA1
SCHEMBL20224493 0.89 SIRT2 (0.33) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL16855317 0.87 ESR1 (0.40) ESR1ESR2MEN1HSP90AA1MAPT
SCHEMBL20224428 0.87 SIRT2 (0.35) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL20224371 0.86 SIRT2 (0.35) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL18156732 0.85 ESR1 (0.39) SIRT2SIRT1PTGER4ESR1ESR2

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-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed