SCHEMBL22882015

SCHEMBL22882015

O=NC(=O)/C=C/c1ccc(S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.51
▸ HDAC3 O15379 11/20 0.50
▸ HDAC4 P56524 11/20 0.50
▸ HDAC2 Q92769 11/20 0.50
▸ HDAC6 Q9UBN7 11/20 0.50
▸ HDAC10 Q969S8 10/20 0.50
▸ HDAC5 Q9UQL6 10/20 0.50
▸ HDAC8 Q9BY41 10/20 0.43
▸ HDAC7 Q8WUI4 9/20 0.43
▸ HDAC11 Q96DB2 9/20 0.43
▸ HDAC9 Q9UKV0 9/20 0.43
▸ TYR P14679 2/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ AKR1B10 O60218 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL16381772 0.82 TYR (0.63) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15943011 0.82 HCAR2 (0.61) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL18653116 0.80 ESR1 (0.51) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL15483131 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL16588259 0.79 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL13883759 0.79 F3 (0.64) TYRHSD11B1CYP2D6CYP2C9F3
SCHEMBL1055352 0.77 HCAR2 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL27688186 0.77 HCAR2 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL1055350 0.77 HCAR2 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC6
SCHEMBL14319658 0.76 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC2HDAC6

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-3760647-A1 NOVEL PHOTOCROSSLINKABLE ALGINIC ACID DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2021-01-06 — — EP disclosed
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