SCHEMBL7367556

SCHEMBL7367556

O=[N+]([O-])c1cc[c]c(C(F)(F)F)c1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL3869693 0.80 KMT2A (0.35) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6986496 0.76 KDM4E (0.37) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL11633200 0.75 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL16519973 0.73 TDP1 (0.48) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL23581895 0.72 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7646278 0.72 TSHR (0.38) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL709825 0.72 TDP1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27315010 0.70 TDP1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4692661 0.70 PDE7A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL31280234 0.69 CYP3A4 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C19

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-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed