SCHEMBL21736809

SCHEMBL21736809

Cc1cncc(C#N)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.36
TSHR P16473 1/20 0.34
CYP11B1 P15538 7/20 0.33
CYP11B2 P19099 7/20 0.33

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
SCHEMBL13748960 0.87 KDM5A (0.37) KDM5ACYP11B1CYP11B2
SCHEMBL14547569 0.82
SCHEMBL24595067 0.78 KDM5A (0.35) KDM5ACYP11B1CYP11B2
SCHEMBL13747989 0.78 CYP11B2 (0.35) KDM5ACYP11B1CYP11B2
SCHEMBL21736808 0.78 KDM5A (0.33) KDM5ACYP11B1CYP11B2
SCHEMBL10073172 0.78
SCHEMBL3559922 0.76 TSHR (0.41) TSHRCYP11B1CYP11B2
SCHEMBL24595124 0.76 KDM5A (0.40) KDM5A
SCHEMBL15334774 0.75 TSHR (0.44) TSHRCYP11B1CYP11B2
SCHEMBL26356740 0.72 KDM5A (0.43) KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed