SCHEMBL5635178

SCHEMBL5635178

O=C(Br)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 2/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
PTGS1 P23219 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
NFKB1 P19838 1/20 0.44
PPIA P62937 1/20 0.43

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
SCHEMBL31575836 1.00 LMNA (0.60) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL11032011 0.87 LMNA (0.46) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL10892500 0.87 LMNA (0.46) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL10893077 0.82 ALDH1A1 (0.40) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL746794 0.82 LMNA (0.64) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL28634751 0.82 LMNA (0.64) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL5794560 0.80 LMNA (0.62) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL28815055 0.80 LMNA (0.62) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL30449216 0.80 LMNA (0.62) LMNAGAACTNNB1WNT3ASMN1; SMN2
SCHEMBL2195147 0.80 LMNA (0.62) LMNAGAACTNNB1WNT3ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968852-A PHOSPHINE-RHODIUM COMPLEX DECARBONYLATION CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1990-11-06 US claimed
JP-63045230-A None JP disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-4968852-A PHOSPHINE-RHODIUM COMPLEX DECARBONYLATION CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1990-11-06 US disclosed
US-4968852-A PHOSPHINE-RHODIUM COMPLEX DECARBONYLATION CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1990-11-06 US disclosed
US-4968852-A PHOSPHINE-RHODIUM COMPLEX DECARBONYLATION CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1990-11-06 US disclosed
JP-S6345230-A TRIFLUOROMETHYLBENZOYL BROMIDE AND PRODUCTION OF BROMOBENZOTRIFLUORIDE USING SAID COMPOUND CENTRAL GLASS CO LTD 1988-02-26 JP disclosed
US-4581179-A Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-08 US disclosed
US-4500471-A REACTING TRICHLORO-OR TRIBROMOMETHYLBENZOYL HALIDES WITH HYDROGEN FLORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1985-02-19 US disclosed
EP-0038223-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1984-08-08 EP disclosed
EP-0038223-A1 Process for the preparation of trifluoromethylbenzoyl halides OCCIDENTAL CHEMICAL CORPORATION (US) 1981-10-21 EP disclosed