SCHEMBL21728096

SCHEMBL21728096

C#CCOc1cc(F)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAOB P27338 6/20 0.40
MAOA P21397 3/20 0.38
MAPT P10636 1/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR2C P28335 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL21356749 0.81 TSHR (0.49) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL12749278 0.81 MAOB (0.41) MAOBMAPTHTR2ATSHRCYP3A4
SCHEMBL29679102 0.81 MEN1 (0.50) FFAR1FFAR4MAOBMAOAMAPT
SCHEMBL6598860 0.81 MEN1 (0.50) FFAR1FFAR4MAOBMAOAMAPT
SCHEMBL9273767 0.81 PDE4B (0.47) FFAR1FFAR4MAOBMAOASLC6A4
SCHEMBL9698453 0.79 HTR2A (0.46) MAOBMAOAMAPTHTR2ATSHR
SCHEMBL1477797 0.79 FFAR1 (0.44) FFAR1FFAR4MAOBMAPTTSHR
SCHEMBL1477058 0.79 LMNA (0.44) MAOBMAPTHTR2ATSHRHTR2C
SCHEMBL30004097 0.79 FFAR1 (0.44) FFAR1FFAR4MAOBMAPTTSHR
SCHEMBL14037318 0.79 MAOB (0.40) MAOBMAOAMAPTTSHRMEN1

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-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed