SCHEMBL11648291

SCHEMBL11648291

O=C(c1ccc(O)cc1)c1cc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.74
▸ DYRK1B Q9Y463 9/20 0.73
▸ CLK1 P49759 8/20 0.73
▸ HSD17B1 P14061 5/20 0.63
▸ BCL2L1 Q07817 1/20 0.59
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ APP P05067 1/20 0.51
▸ SLC9A1 P19634 1/20 0.50

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
SCHEMBL8338532 0.88 DYRK1A (0.76) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL13045530 0.86 DYRK1A (0.73) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL23041064 0.85 DYRK1A (0.63) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL23041057 0.85 DYRK1A (0.63) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL23041055 0.85 DYRK1A (0.63) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL23041062 0.85 DYRK1A (0.63) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL6321234 0.84 BCL2L1 (0.74) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL31356465 0.84 BCL2L1 (0.74) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL28260363 0.83 DYRK1A (0.69) DYRK1ADYRK1BCLK1HSD17B1BCL2L1
SCHEMBL20748215 0.82 HSD17B1 (0.80) DYRK1ADYRK1BCLK1HSD17B1BCL2L1

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-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 — — US disclosed
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