SCHEMBL9715959

SCHEMBL9715959

Cc1cc(C)c2oc(=O)n(CC#CI)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MIF P14174 2/20 0.33
CD74 P04233 1/20 0.33
KMT2A Q03164 5/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
C5AR1 P21730 1/20 0.31
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PON1 P27169 1/20 0.30
MAPK1 P28482 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
SCHEMBL12060504 0.79 MIF (0.37) POLBLMNAL3MBTL1ALDH1A1MIF
SCHEMBL9716028 0.77 MIF (0.57) POLBLMNAL3MBTL1ALDH1A1MIF
SCHEMBL14198762 0.75 KMT2A (0.40) POLBLMNAL3MBTL1ALDH1A1MIF
SCHEMBL9716052 0.74 MIF (0.57) POLBLMNAL3MBTL1ALDH1A1MIF
SCHEMBL9715964 0.74 IDO1 (0.35) POLBKMT2AMEN1
SCHEMBL2710708 0.74 KDM4E (0.41) KDM4E
SCHEMBL2149837 0.72 L3MBTL1 (0.43) POLBLMNAL3MBTL1ALDH1A1MIF
SCHEMBL19362764 0.70 PKM (0.39) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9715933 0.69 ALDH1A1 (0.40) LMNAL3MBTL1ALDH1A1MIFKMT2A
SCHEMBL9716001 0.69 IDO1 (0.35) POLBL3MBTL1ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102898-A Halosubstituted alkyne group; fungicides ROHM AND HAAS COMPANY (US) 1992-04-07 US disclosed