SCHEMBL8875498

SCHEMBL8875498

Cc1cc(CCCCCBr)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
VHL P40337 2/20 0.38
PPARA Q07869 1/20 0.38
PYCR1 P32322 1/20 0.38
ALDH1A1 P00352 2/20 0.36
IGF1R P08069 4/20 0.35
FGFR1 P11362 4/20 0.35
KDR P35968 4/20 0.35
SIRT2 Q8IXJ6 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
INSR P06213 2/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL9436389 1.00 NR1I2 (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8539204 1.00 NR1I2 (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9666007 1.00 NR1I2 (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9667987 1.00 NR1I2 (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9667721 0.98 MEN1 (0.42) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL1078939 0.92 MEN1 (0.43) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL28037973 0.84
SCHEMBL9837049 0.81 MEN1 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9705940 0.81 MEN1 (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL7424584 0.81 VHL (0.41) NR1I2CYP3A4CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643929-A TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES SANOFI WINTHROP, INC. (US) 1997-07-01 US disclosed
US-5464848-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
EP-0413289-B1 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC (US) 1995-02-01 EP disclosed
US-5349068-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1994-09-20 US disclosed
EP-0207453-B1 Heterocyclic substituted-phenoxyalkyl-isoxazoles and-furans, their preparation and use as antiviral agents STERLING WINTHROP INC (US) 1994-06-22 EP disclosed
US-5175178-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING DRUG INC. (US) 1992-12-29 US disclosed
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
EP-0137242-B1 (SUBSTITUTED) PHENYL-ALIPHATIC-ISOXAZOLES USEFUL AS ANTIVIRAL AGENTS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-05-13 EP disclosed
US-5110821-A Picornavirus STERLING DRUG INC. (US) 1992-05-05 US disclosed
US-5051437-A Treatment of rhinovirus or picornaviruses STERLING DRUG INC. (US) 1991-09-24 US disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
EP-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 EP disclosed
US-4945164-A 1,3,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents and intermediates thereof STERLING DRUG INC. (US) 1990-07-31 US disclosed
US-4942241-A PICORNAVIRUS INCLUDING RHINOVIRUS STERLING DRUG INC. (US) 1990-07-17 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4857539-A Heterocyclic substituted-phenoxyalkylisoxazoles as antiviral useful agents STERLING DRUG INC. (US) 1989-08-15 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed
EP-0207453-A2 Heterocyclic substituted-phenoxyalkyl-isoxazoles and-furans, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed