SCHEMBL9856562

SCHEMBL9856562

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 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
EPAS1 Q99814 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
ALDH3A1 P30838 1/20 0.32
TBXA2R P21731 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
ALPL P05186 2/20 0.31
ALPI P09923 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9856564 0.80 PTPN1 (0.37) PTPN1SMN1; SMN2EPAS1LMNAMAPT
SCHEMBL9575552 0.79 PTPN1 (0.39) PTPN1SMN1; SMN2EPAS1LMNAMAPT
SCHEMBL10703230 0.77 PTPN1 (0.38) PTPN1SMN1; SMN2EPAS1LMNAMAPT
SCHEMBL27728519 0.71 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTGAAKDM4E
SCHEMBL28558259 0.71 ALDH1A1 (0.49) SMN1; SMN2EPAS1LMNAMAPTHTT
SCHEMBL7454336 0.71 MAPT (0.42) SMN1; SMN2LMNAMAPTHTTGAA
SCHEMBL10701358 0.70 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTGAAKDM4E
SCHEMBL10535167 0.70 TDP1 (0.49) LMNAMAPTALDH1A1
SCHEMBL16095720 0.69 PTPN1 (0.45) PTPN1SMN1; SMN2EPAS1LMNAMAPT
SCHEMBL3970948 0.68 ALDH1A1 (0.45) SMN1; SMN2LMNAMAPTHTTGAA

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 2 patents. 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
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed