SCHEMBL9575552

SCHEMBL9575552

O=[N+]([O-])c1cc(C(c2ccc(OS(=O)(=O)c3ccc(Br)cc3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1OS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
MASP2 O00187 1/20 0.38
F2 P00734 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
EPAS1 Q99814 1/20 0.35
LMNA P02545 4/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10703230 0.88 PTPN1 (0.38) PTPN1MASP2F2SMN1; SMN2EPAS1
SCHEMBL4649727 0.88 LMNA (0.46) PTPN1MASP2F2SMN1; SMN2LMNA
SCHEMBL9856564 0.86 PTPN1 (0.37) PTPN1MASP2F2SMN1; SMN2EPAS1
SCHEMBL9575509 0.81 MASP2 (0.41) PTPN1MASP2F2SMN1; SMN2LMNA
SCHEMBL9856562 0.79 PTPN1 (0.37) PTPN1SMN1; SMN2EPAS1LMNAMAPT
SCHEMBL10702712 0.76 LMNA (0.44) PTPN1MASP2F2SMN1; SMN2LMNA
SCHEMBL9575360 0.74 CA1 (0.43) PTPN1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16095720 0.72 PTPN1 (0.45) PTPN1MASP2F2SMN1; SMN2EPAS1
SCHEMBL3844085 0.71 KMT2A (0.42) SMN1; SMN2LMNAMAPK1HPGDMAPT
SCHEMBL27731145 0.71 HSPB1 (0.58) SMN1; SMN2LMNAMAPK1HPGDMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
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 claimed
EP-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
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