SCHEMBL7054791

SCHEMBL7054791

COc1ccc(C(C)(C)c2cc(C(F)(F)F)cc(N=Nc3cc(C(C)(C)C)ccc3O)c2[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
P2RX1 P51575 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
PKM P14618 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL6862475 0.79 MAPT (0.43) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL6862477 0.79 MAPT (0.43) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL11555497 0.74 GAA (0.43) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL11555501 0.74 GAA (0.43) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL6861279 0.73 NPC1 (0.40) MAPTMAPK1NPC1RAB9AGAA
SCHEMBL6861280 0.73 NPC1 (0.40) MAPTMAPK1NPC1RAB9AGAA
SCHEMBL6856421 0.72 ALDH1A1 (0.48) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL13994776 0.70 ALDH1A1 (0.55) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL11449505 0.69 HTT (0.42) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL11449504 0.69 HTT (0.42) MAPTL3MBTL1MAPK1NPC1RAB9A

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-1305297-A1 BENZOTRIAZOLES CONTAINING ALPHA-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2003-05-02 EP disclosed
WO-2002012205-A1 BENZOTRIAZOLES CONTAINING α-CUMYL GROUPS SUBSTITUTED BY HETEROATOMS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-14 WO disclosed