SCHEMBL28643177

SCHEMBL28643177

Cc1cc(F)c(Br)c(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK14 Q16539 3/20 0.48
STAT3 P40763 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM1A O60341 7/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 2/20 0.42
LIPE Q05469 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL7436805 0.89 MAPT (0.56) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL4540283 0.84 KDM1A (0.56) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL26096078 0.84 MAPT (0.51) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL31088870 0.84 MAPT (0.51) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL31166737 0.83 MAOB (0.50) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL171841 0.82 MRGPRX4 (0.68) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL17367259 0.82 MAPT (0.53) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL24750717 0.81 MAPT (0.49) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL25085876 0.81 HTR1A (0.43) MRGPRX4MAPTMAPK1TDP1L3MBTL1
SCHEMBL15180164 0.79 MAPT (0.53) MRGPRX4MAPTMAPK1TDP1L3MBTL1

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
CN-113573713-A Ion channel modulators 普拉克西斯精密药物股份有限公司 2021-10-29 CN disclosed