SCHEMBL26936966

SCHEMBL26936966

O=Nc1cccc(C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.53
▸ HDAC4 P56524 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ CYP11B2 P19099 1/20 0.46
▸ ACMSD Q8TDX5 2/20 0.40
▸ SLC18A3 Q16572 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ SERPINE1 P05121 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL5667650 0.82 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL669730 0.82 KMO (0.64) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL22966418 0.81 KMO (0.49) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL11344825 0.81 KMO (0.49) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL5666805 0.80 KMO (0.62) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL778529 0.79 HDAC4 (0.63) KMOHDAC4HDAC2HDAC8CYP11B2
Hydrogen Peroxide SCHEMBL11391460 0.78 KMO (0.71) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL27307116 0.77 HDAC4 (0.58) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL2097266 0.75 KMO (0.58) KMOHDAC4HDAC2HDAC8CYP11B2
SCHEMBL19446564 0.74 HDAC8 (0.46) HDAC8ACMSDHSP90AA1GAAMAPT

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-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 — — EP disclosed
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