SCHEMBL8951979

SCHEMBL8951979

CCOC(=O)C(C#N)=COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 8/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MIF P14174 1/20 0.45
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 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
SCHEMBL8951978 1.00 MAPT (0.49) MAPTTP53THRBALDH1A1LMNA
SCHEMBL10547930 0.81 KMT2A (0.43) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL9798467 0.81 KMT2A (0.43) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL10547922 0.81 KMT2A (0.43) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL8952094 0.77 ALDH1A1 (0.44) MAPTTP53ALDH1A1LMNAKDM4E
SCHEMBL10734683 0.75 ALDH1A1 (0.45) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL10734688 0.75 ALDH1A1 (0.45) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL20278911 0.75 ALDH1A1 (0.74) MAPTTP53THRBALDH1A1LMNA
SCHEMBL8998886 0.75 ALDH1A1 (0.74) MAPTTP53THRBALDH1A1LMNA
SCHEMBL8998890 0.75 ALDH1A1 (0.74) MAPTTP53THRBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 US disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed