SCHEMBL9575765

SCHEMBL9575765

O=[N+]([O-])c1cc(C(c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1Sc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.59
PDE7B Q9NP56 1/20 0.59
MAPT P10636 9/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
HTT P42858 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 2/20 0.52
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL11709219 0.89 MAPT (0.69) PDE7APDE7BMAPTLMNAMEN1
SCHEMBL9575567 0.80 HPGD (0.55) MAPTLMNAMEN1KMT2AHTT
SCHEMBL6743647 0.78 PDE7A (0.73) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL9669403 0.77 PDE7A (0.56) PDE7APDE7BMAPTLMNAMEN1
SCHEMBL19048971 0.77 PDE7A (0.71) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL30338244 0.77 PDE7A (0.65) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL1713219 0.77 PDE7A (0.65) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL6039967 0.76 TXNRD1 (0.74) PDE7APDE7BMAPTLMNAMEN1
SCHEMBL11253450 0.75 MAPT (0.59) PDE7APDE7BMAPTLMNAMEN1
SCHEMBL2968510 0.75 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A

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 3 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 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
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