SCHEMBL8136126

SCHEMBL8136126

Cc1cc(CCCOc2ccc(C(=N)NO)cc2[N+](=O)[O-])on1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.49
POLB P06746 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
ALPG P10696 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.37
NTSR1 P30989 1/20 0.37
UBE2N P61088 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8875008 0.84 NR1I2 (0.41) PRSS1THRATHRBKMT2AMEN1
SCHEMBL8136130 0.82 PRSS1 (0.49) PRSS1POLBTHRATHRBKMT2A
SCHEMBL8136108 0.80 NR1I2 (0.45) THRATHRB
SCHEMBL8876220 0.79 HDAC6 (0.46) PRSS1KMT2AMEN1ALDH1A1
SCHEMBL8121009 0.78 MAPT (0.45) PRSS1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11031527 0.76 ALDH1A1 (0.48) PRSS1KMT2AALDH1A1MAPTLMNA
SCHEMBL8138666 0.74 NR1I2 (0.54) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL8130660 0.74 CYP3A4 (0.43) PRSS1POLBKMT2AMEN1ALDH1A1
SCHEMBL8135973 0.74 NR1I2 (0.61) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL8875258 0.73 NR1I2 (0.44) KMT2AMEN1ALDH1A1RAB9A

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
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
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