SCHEMBL30404454

SCHEMBL30404454

O=C=NCc1ccc2cc(CN=C=O)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 3/20 0.33
CA4 P22748 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA1 P00915 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP19A1 P11511 1/20 0.32
CA6 P23280 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
POLB P06746 1/20 0.31
MAOB P27338 2/20 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
SCHEMBL7461012 0.80 LOXL2 (0.53) CA2CYP19A1LOXL2POLBFLT3
SCHEMBL29799862 0.77 CYP1A2 (0.35) MIF
SCHEMBL636210 0.77 CYP1A2 (0.35) MIF
SCHEMBL7434593 0.74 F2 (0.32) CA12CA2CA3CA4CA5A
SCHEMBL3722387 0.70 CYP1A2 (0.48)
SCHEMBL31417957 0.70 CYP1A2 (0.48)
SCHEMBL21089 0.70 MIF (0.44) MIF
SCHEMBL3723399 0.69 CYP1A2 (0.42)
SCHEMBL490975 0.68 LMNA (0.35) POLB
Water SCHEMBL29040332 0.68 MIF (0.43) MIF

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
CN-116096774-A Curable composition and cured product thereof 株式会社德山 2023-05-09 CN disclosed