SCHEMBL20859796

SCHEMBL20859796

C#C/C=C\C(=C/C)N(c1ccc(N(c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SLC16A3 O15427 1/20 0.30
▸ SLC16A1 P53985 1/20 0.30

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
SCHEMBL22068900 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ANPSR1L3MBTL1
SCHEMBL19866402 0.84 MAPT (0.33) ALDH1A1NPSR1L3MBTL1
SCHEMBL19867987 0.82 ALDH1A1 (0.36) NR1H4ALDH1A1LMNATP53MEN1
SCHEMBL19311818 0.81 ALDH1A1 (0.36) NR1H4ALDH1A1LMNATP53MEN1
SCHEMBL13709429 0.81 ALDH1A1 (0.36) NR1H4ALDH1A1LMNATP53MEN1
SCHEMBL25621677 0.81 — —
SCHEMBL23586325 0.80 ESR1 (0.36) NR1H4ALDH1A1LMNATP53MEN1
SCHEMBL21444319 0.79 MEN1 (0.37) NR1H4ALDH1A1LMNATP53MEN1
SCHEMBL25805421 0.78 APP (0.41) ESR1ESR2
SCHEMBL18533905 0.77 PIN1 (0.35) NR1H4ALDH1A1LMNATP53MEN1

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-3462517-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-04-03 — — EP disclosed
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