SCHEMBL28554198

SCHEMBL28554198

O=S(=O)(c1ccc(C(F)(C(F)F)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PTPRZ1 P23471 1/20 0.41
KIF11 P52732 3/20 0.40
ESPL1 Q14674 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HSD11B1 P28845 3/20 0.33
POLB P06746 1/20 0.33
EPAS1 Q99814 3/20 0.33
VEGFA P15692 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.31
PIP4K2A P48426 1/20 0.31

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
SCHEMBL7647444 0.79 ESR1 (0.35)
SCHEMBL5670628 0.76 LMNA (0.47) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL8503005 0.75 CA2 (0.43) KIF11CA1CA2HSD11B1
SCHEMBL11685641 0.72 LMNA (0.47) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL10145040 0.72 ALDH1A1 (0.69) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL10581035 0.71 KCNN4 (0.35) MAPK1CA1CA2HSD11B1
SCHEMBL28542275 0.70 LMNA (0.42) LMNASMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL8501156 0.70 CA2 (0.42) HTTALDH1A1KIF11CA1CA2
SCHEMBL3130889 0.70 CYP19A1 (0.39) LMNAMAPK1HSD11B1MEN1KMT2A
SCHEMBL1719753 0.70 ESR1 (0.54) LMNAALDH1A1KIF11CA1CA2

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-112624930-A Preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 上海如鲲新材料有限公司 2021-04-09 CN disclosed