SCHEMBL28964396

SCHEMBL28964396

O=C(Nc1ccccc1)Nc1ccc(OS(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.59
CA1 P00915 14/20 0.59
CA2 P00918 14/20 0.59
CA9 Q16790 14/20 0.59
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49
IDH1 O75874 1/20 0.48

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
SCHEMBL26382180 0.85 CA12 (0.56) CA12CA1CA2CA9POLB
SCHEMBL25425198 0.84 CA12 (0.50) CA12CA1CA2CA9POLB
SCHEMBL28948071 0.83 CA12 (0.58) CA12CA1CA2CA9POLB
SCHEMBL26382157 0.82 POLB (0.54) CA12CA1CA2CA9POLB
SCHEMBL26382238 0.82 CA12 (0.56) CA12CA1CA2CA9POLB
SCHEMBL15219645 0.81 KCNJ6 (0.55) CA12CA1CA2CA9POLB
SCHEMBL25422305 0.81 CA12 (0.49) CA12CA1CA2CA9POLB
SCHEMBL15210456 0.80 KCNJ6 (0.53) CA12CA1CA2CA9NPC1
SCHEMBL25423221 0.80 CA12 (0.55) CA12CA1CA2CA9
SCHEMBL22446500 0.80 CA2 (0.69) CA12CA1CA2CA9

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-115666957-A Heat-sensitive recording material 科勒创新科技有限公司 2023-01-31 CN disclosed