SCHEMBL17760045

SCHEMBL17760045

c1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5cccc(-c6ccccc6)c5)c(-c5ccccc5)c4)cc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CAMKK2 Q96RR4 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ APAF1 O14727 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL17760018 0.90 SIRT2 (0.36) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL22182348 0.89 PDK2 (0.46) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL17759919 0.87 ALDH1A1 (0.41) PDK2MEN1KMT2APOLBALK
SCHEMBL23765021 0.87 MEN1 (0.39) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL17760154 0.86 CDC25B (0.40) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL807849 0.85 PDK2 (0.41) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL18212111 0.84 PDK2 (0.39) PDK2SIRT2SIRT1MEN1KMT2A
SCHEMBL19051121 0.84 PDK2 (0.33) PDK2MEN1KMT2APOLBALK
SCHEMBL22920819 0.84 PDK2 (0.43) PDK2MEN1KMT2APOLBLMNA
SCHEMBL18212129 0.84 PDK2 (0.40) PDK2SIRT2SIRT1MEN1KMT2A

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
WO-2016076629-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-19 — — WO disclosed
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