SCHEMBL9575409

SCHEMBL9575409

O=[N+]([O-])c1cc(C(c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR6 P50406 1/20 0.50
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL13528776 0.90 MAPT (0.65) MAPTMEN1KMT2ALMNANPC1
SCHEMBL15311207 0.84 HTT (0.61) MAPTMEN1KMT2ALMNANPC1
Phosphonic Acid SCHEMBL27298727 0.84 MAPT (0.58) MAPTMEN1KMT2ALMNANPC1
SCHEMBL9575364 0.80 MAPK1 (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9395569 0.78 MAPT (0.72) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL5476899 0.77 MAPT (0.62) MAPTMEN1KMT2ALMNAHTR6
SCHEMBL13331971 0.77 GAA (0.55) MAPTMEN1KMT2ALMNANPC1
SCHEMBL7335661 0.77 MAPT (0.63) MAPTMEN1KMT2ALMNANPC1
SCHEMBL2465858 0.77 MAPT (0.75) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL376685 0.77 KDM4E (0.47) MAPTMEN1KMT2ASMN1; SMN2L3MBTL1

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