SCHEMBL9211432

SCHEMBL9211432

Cc1cc(CCCCCOc2c(Cl)cc(C#N)cc2Cl)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 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IGF1R P08069 2/20 0.31
FGFR1 P11362 2/20 0.31
KDR P35968 2/20 0.31
GRM5 P41594 2/20 0.31
KDM1A O60341 4/20 0.31
PKM P14618 1/20 0.30
MAPT P10636 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
SCHEMBL8875626 0.95 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9705668 0.89 NR1I2 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9208044 0.88 NR1I2 (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9876491 0.85 ICMT (0.44) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9436214 0.84 NR1I2 (0.43) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9862969 0.83 ICMT (0.44) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL8128286 0.82 NR1I2 (0.55) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9436179 0.81 CYP1A2 (0.46) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL11034112 0.81 CYP1A2 (0.46) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9666814 0.81 CYP1A2 (0.46) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413289-B1 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC (US) 1995-02-01 EP 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
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
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-4857539-A Heterocyclic substituted-phenoxyalkylisoxazoles as antiviral useful agents STERLING DRUG INC. (US) 1989-08-15 US 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