SCHEMBL18898039

SCHEMBL18898039

O=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3cc(-c4ccc5cc(-c6cccc(-c7cc8ccccc8c8ccccc78)c6)ccc5c4)cc4ccccc34)c1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ SIRT2 Q8IXJ6 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
SCHEMBL18828193 0.82 PDK2 (0.35) PDK2HDAC8HDAC6GPR84MCL1
SCHEMBL22175362 0.77 PDK2 (0.50) PDK2
SCHEMBL18589829 0.76 — —
SCHEMBL18910297 0.73 — —
SCHEMBL18809136 0.73 — —
SCHEMBL18643411 0.73 PDK2 (0.46) PDK2
SCHEMBL19510014 0.72 — —
SCHEMBL12551795 0.71 PDK2 (0.51) PDK2
SCHEMBL22058575 0.71 HSD17B1 (0.39) PDK2HDAC8SLC6A2SLC6A4SLC6A3
SCHEMBL24647146 0.71 ALDH1A1 (0.36) GPR84MCL1ACMSDHSD17B1HSD17B2

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
US-9663544-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-30 — — US disclosed
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