SCHEMBL21609770

SCHEMBL21609770

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nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MLYCD O95822 7/20 0.33
CTSK P43235 1/20 0.32
DGAT1 O75907 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL27424859 1.00 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10431349 0.80 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2690899 0.79 CYP2D6 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27929482 0.79 TSHR (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL607503 0.77 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL96701 0.77 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260631 0.77 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5468494 0.77 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL24974534 0.76 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17911554 0.76 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185628-A1 MULTILAYERED STRUCTURE AND A PROCESS FOR PREPARING THE SAME BASF SE (DE) 2023-05-31 EP disclosed
EP-3814397-A1 A PROCESS FOR PRODUCING A RIGID POLYURETHANE FOAM AND USE THEREOF AS AN INSULATION MATERIAL BASF SE (DE) 2021-05-05 EP disclosed
WO-2020002104-A1 A PROCESS FOR PRODUCING A RIGID POLYURETHANE FOAM AND USE THEREOF AS AN INSULATION MATERIAL BASF SE (DE) 2020-01-02 WO disclosed