SCHEMBL7532656

SCHEMBL7532656

CC1=[N+](C)c2ccc(F)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 1/20 0.40
VDR P11473 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
Iodide SCHEMBL6340988 0.98 MEN1 (0.42) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL2614422 0.81 THRB (0.59) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL26782791 0.80 LTA4H (0.38) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL18745572 0.78 MEN1 (0.40) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL15315509 0.78 MEN1 (0.40) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL3961483 0.78 TDP1 (0.40) MEN1MAPTTHRBRECQLKMT2A
Iodide SCHEMBL4701241 0.76 MEN1 (0.42) MEN1MAPTTHRBRECQLKMT2A
Iodide SCHEMBL5462950 0.76 MEN1 (0.43) MEN1MAPTTHRBRECQLKMT2A
SCHEMBL24967688 0.74 MEN1 (0.37) MEN1MAPTTHRBRECQLKMT2A
Hydrochloric Acid SCHEMBL4613582 0.74 VDR (0.57) MEN1MAPTTHRBRECQLKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066290-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-07 WO disclosed
EP-1227786-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE Wella Aktiengesellschaft (DE) 2002-08-07 EP disclosed
EP-1194633-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP disclosed
EP-1194118-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP disclosed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed
WO-2001085111-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO disclosed