SCHEMBL28844798

SCHEMBL28844798

COc1cc(N)ccc1C(F)(C(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NR4A1 P22736 1/20 0.38
USP2 O75604 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
HTR2B P41595 2/20 0.33
CYP19A1 P11511 4/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL5958684 0.80 MAPT (0.47) GAAMAPTTSHRMAPK1HTT
SCHEMBL29938098 0.80 MAPT (0.47) GAAMAPTTSHRMAPK1HTT
SCHEMBL1013276 0.79 GAA (0.50) GAAMAPTTSHRMAPK1HTT
SCHEMBL21496127 0.78 ALDH1A1 (0.42) GAAMAPTTSHRALDH1A1KDM4E
SCHEMBL7099157 0.77 ALDH1A1 (0.45) GAAMAPTTSHRMAPK1HTT
SCHEMBL28844840 0.76 GAA (0.52) GAAMAPTTSHRMAPK1ALDH1A1
SCHEMBL28844869 0.75 CYP3A4 (0.42) GAAMAPTTSHRMAPK1HTT
SCHEMBL28844879 0.75 TSHR (0.38) GAAMAPTTSHRMAPK1ALDH1A1
SCHEMBL9367884 0.73 KDM4E (0.45) GAAMAPTTSHRMAPK1HTT
SCHEMBL396413 0.73 MAPT (0.52) GAAMAPTTSHRMAPK1HTT

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-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed