SCHEMBL6734902

SCHEMBL6734902

COc1cc(F)c([Mg]Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB1 Q9H4B7 3/20 0.34
KDM1A O60341 2/20 0.33
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL2937347 0.79 LMNA (0.46) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL7678388 0.79 NPC1 (0.46) LMNAMAPK1RAB9APTGS2MAPT
SCHEMBL16173475 0.74 CYP3A4 (0.43) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL2001415 0.74 LMNA (0.43) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL345438 0.74
SCHEMBL29365208 0.74
SCHEMBL18481797 0.71 LMNA (0.45) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL435716 0.71 POLB (0.41) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL30745361 0.71 POLB (0.41) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL12811595 0.71 HTR2A (0.52) MAPTHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683218-B1 REACTING AN ARYL FLUORIDE WITH HALOGENATED HYDROCARBON AND MAGNESIUM; METALLIZATION, BORATING; DISTILLING OUT DIETHYL ETHER OR TETRAHYDROFURAN SOLVENT NIPPON SHOKUBAI CO., LTD. (JP) 2004-01-27 US disclosed
EP-0825195-B1 PRODUCING PROCESS OF FLUOROARYL MAGNESIUM DERIVATIVE AND PRODUCING PROCESS OF (FLUOROARYL)BORANE COMPOUND NIPPON CATALYTIC CHEM IND (JP) 2003-11-12 EP disclosed
US-6057480-A Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound NIPPON SHOKUBAI CO., LTD. (JP) 2000-05-02 US disclosed
EP-0838466-A2 Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-29 EP disclosed
EP-0825195-A1 PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 1998-02-25 EP disclosed