SCHEMBL21737035

SCHEMBL21737035

CCC(C)c1cnc(Cl)n1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP1A1 P05023 2/20 0.32
ATP1B1 P05026 2/20 0.32
ATP1A3 P13637 2/20 0.32
ATP1B2 P14415 2/20 0.32
ATP1A2 P50993 2/20 0.32
ATP1B3 P54709 2/20 0.32
FXYD2 P54710 2/20 0.32
ATP1A4 Q13733 2/20 0.32
MLYCD O95822 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL29264490 0.81 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL24377369 0.76 CYP1A2 (0.43) LMNASMN1; SMN2ATP1A1ATP1B1ATP1A3
SCHEMBL13361823 0.68
SCHEMBL12373457 0.68 CDK4 (0.33) LMNASMN1; SMN2
SCHEMBL10690731 0.66
SCHEMBL2280840 0.65 CDK4 (0.31)
SCHEMBL2282120 0.65 MLYCD (0.33) LMNASMN1; SMN2MLYCD
SCHEMBL2305939 0.64
SCHEMBL12363180 0.64 MAPT (0.38) SMN1; SMN2ALDH1A1
SCHEMBL19551110 0.64 MAPT (0.38) SMN1; SMN2ALDH1A1

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-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed