SCHEMBL8089116

SCHEMBL8089116

COc1ccc(Cc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
CYP27A1 Q02318 1/20 0.44
CYP24A1 Q07973 1/20 0.44
EPHX2 P34913 1/20 0.43
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHEK1 O14757 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL31557643 0.79 CYP24A1 (0.49) KMT2AMEN1CYP27A1CYP24A1RAB9A
SCHEMBL29274258 0.79 RAB9A (0.50) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL9385318 0.78 ALDH1A1 (0.51) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL29559830 0.78 ALDH1A1 (0.51) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL8089113 0.78 ALDH1A1 (0.50) KMT2AMEN1CYP27A1CYP24A1ALDH1A1
SCHEMBL176999 0.77 ALDH1A1 (0.48) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL6698821 0.77 AKR1C3 (0.53) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL22897915 0.75 ALDH1A1 (0.44) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL3601730 0.75 SIRT6 (0.50) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL4589858 0.75 AKR1C3 (0.63) KMT2AMEN1RAB9AALDH1A1NPC1

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
EP-1054715-A1 METHOD OF PURIFYING PHOTOACID GENERATORS FOR USE IN PHOTORESIST COMPOSITIONS Olin Microelectronic Chemicals, Inc. (US) 2000-11-29 EP disclosed
WO-1999036151-A1 METHOD OF PURIFYING PHOTOACID GENERATORS FOR USE IN PHOTORESIST COMPOSITIONS OLIN MICROELECTRONIC CHEMICALS, INC. (US) 1999-07-22 WO disclosed