SCHEMBL8128286

SCHEMBL8128286

Cc1cc(CCCOc2c(C)cc(C#N)cc2C)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN8A Q9UQD0 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
IGF1R P08069 2/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
PKM P14618 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNB4 P30926 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
SCHEMBL9208044 0.95 NR1I2 (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8876418 0.91 NR1I2 (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL13623359 0.88 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8875626 0.87 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8134990 0.87 NR1I2 (0.47) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8129820 0.86 NR1I2 (0.44) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8137870 0.86 NR1I2 (0.42) NR1I2CYP3A4CYP2D6KMT2ASCN8A
SCHEMBL8132457 0.84 NR1I2 (0.40) NR1I2CYP3A4CYP2D6SCN8ACHRNB2
SCHEMBL8874236 0.83 MEN1 (0.42) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8874407 0.82 CYP1A2 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566199-B1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents SANOFI SA (FR) 2000-03-01 EP disclosed
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-0566199-A1 1,2,4-Oxadiazolyl-phenoxyalkylisoxazoles and their use a s antiviral agents STERLING WINTHROP INC. (US) 1993-10-20 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
US-4942241-A PICORNAVIRUS INCLUDING RHINOVIRUS STERLING DRUG INC. (US) 1990-07-17 US disclosed