SCHEMBL20224329

SCHEMBL20224329

c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5c4ccc4c5sc5ccccc54)ccc3n2-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

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
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
SCHEMBL20224331 0.92 RECQL (0.35) PTGER4ESR1ESR2
SCHEMBL19862211 0.90 SIRT2 (0.33) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL20224515 0.88 SIRT2 (0.33) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL20224389 0.86 SIRT2 (0.35) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL20224449 0.86 SIRT2 (0.35) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL20225179 0.85 SIRT2 (0.36) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL19164070 0.84 ESR1 (0.43) SIRT2SIRT1PTGER4ESR1ESR2
SCHEMBL19862186 0.82 RECQL (0.33) PTGER4ESR1ESR2
SCHEMBL19760333 0.82 ALOX5 (0.40)
SCHEMBL20224311 0.82 SIRT2 (0.33) 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