SCHEMBL21742008

SCHEMBL21742008

CC(C)(C)C(C)(O)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
AHR P35869 2/20 0.42
CHRM2 P08172 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BLM P54132 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 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
SCHEMBL4388586 0.91 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL10044249 0.88 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2HSD11B1
SCHEMBL11681741 0.83 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL16230664 0.83 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL6921056 0.82 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL29965849 0.82 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL12717303 0.82 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL946635 0.82 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL27997203 0.80 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1
SCHEMBL6177476 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM2ALDH1A1

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed