SCHEMBL7142181

SCHEMBL7142181

Nc1cc(COC(=O)c2ccc(F)c(N)c2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15754802 0.88 KMT2A (0.58) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL28698301 0.82 LMNA (0.39) ALDH1A1LMNAMAOAMAOB
SCHEMBL1127647 0.81 LMNA (0.59) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5108824 0.77 ALDH1A1 (0.51) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4857410 0.76 KMT2A (0.58) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL7694628 0.75 KMT2A (0.49) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL29892849 0.75 MAPT (0.66) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL51081 0.75 MAPT (0.66) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL18775841 0.75 CYP1A2 (0.39) MAPTHPGDALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL6987193 0.73 MAPT (0.64) KMT2AMEN1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003011869-A1 RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2003-02-13 WO disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
EP-1259510-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-11-27 EP disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
WO-2001066544-A2 TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed