SCHEMBL9856564

SCHEMBL9856564

O=[N+]([O-])c1cc(C(F)(C(F)F)C(F)(F)F)ccc1OS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
EPAS1 Q99814 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH3A1 P30838 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
SCHEMBL9575552 0.86 PTPN1 (0.39) PTPN1MASP2F2SMN1; SMN2EPAS1
SCHEMBL10703230 0.84 PTPN1 (0.38) PTPN1MASP2F2SMN1; SMN2EPAS1
SCHEMBL9856562 0.80 PTPN1 (0.37) PTPN1SMN1; SMN2EPAS1GAALMNA
SCHEMBL4649727 0.74 LMNA (0.46) PTPN1MASP2F2SMN1; SMN2GAA
SCHEMBL27728520 0.73 MASP2 (0.44) MASP2F2SMN1; SMN2GAALMNA
SCHEMBL10702712 0.73 LMNA (0.44) PTPN1MASP2F2SMN1; SMN2GAA
SCHEMBL8501372 0.72 ALPL (0.41) SMN1; SMN2GAALMNAMAPTHPGD
SCHEMBL28558260 0.71 ALDH1A1 (0.49) SMN1; SMN2EPAS1GAALMNAMAPT
SCHEMBL27679171 0.70 MAPK1 (0.47) SMN1; SMN2LMNAMAPTMAPK1HPGD
SCHEMBL16095720 0.69 PTPN1 (0.45) PTPN1MASP2F2SMN1; SMN2EPAS1

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
US-5028728-A Process for the preparation of reaction products of 2,2-bis-(4-hydroxphenyl)-hexafluoropropane and new derivatives of this type HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed