SCHEMBL21736836

SCHEMBL21736836

C=CCOc1ccc(C(C)C)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CASR P41180 1/20 0.38
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL28985011 0.82 KDM4E (0.51) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL21736917 0.77 MAOB (0.42) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL24595131 0.75 KDM4E (0.41) MEN1LMNAKMT2ACYP2D6GAA
SCHEMBL21719006 0.74 MAPT (0.42) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL14275899 0.72 CYP2D6 (0.51) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL7797658 0.71 MAPT (0.49) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3823460 0.71 CA12 (0.60) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL22043402 0.71 MAPT (0.39) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3825460 0.70 CA12 (0.64) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL25017268 0.70 KDM4E (0.53) MAPTSMN1; SMN2MEN1LMNAKMT2A

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