SCHEMBL21742376

SCHEMBL21742376

FC(F)(F)C(F)(c1ccccn1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.38
GRM5 P41594 1/20 0.38
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
NR1I2 O75469 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21742186 0.98 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2GRM5MAPK1
SCHEMBL21742432 0.95 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2GRM5MAPK1
SCHEMBL21742184 0.91 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CYP1A2GRM5ALDH1A1
SCHEMBL21742369 0.81 NR1I2 (0.46) SMN1; SMN2L3MBTL1CYP1A2GRM5CHRM2
SCHEMBL21742387 0.79 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CYP1A2GRM5MAPK1
SCHEMBL21742368 0.79 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP1A2GRM5ALDH1A1
SCHEMBL8018028 0.76 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CYP1A2GRM5MAPK1
SCHEMBL21742194 0.75 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1GRM5CHRM2CHRM3
SCHEMBL21742385 0.75 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1CYP1A2GRM5ALDH1A1
SCHEMBL21742202 0.75 CHRM3 (0.40) SMN1; SMN2L3MBTL1CYP1A2GRM5MAPK1

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