SCHEMBL728758

SCHEMBL728758

CC(=O)c1cccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4cccc(C(C)=O)c4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CTDSP1 Q9GZU7 2/20 0.50
▸ S100B P04271 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TYMS P04818 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL22199971 0.86 CA9 (0.59) POLBALDH1A1CA9CA12CA1
SCHEMBL13228866 0.81 LPAR1 (0.47) POLBCTDSP1ALDH1A1MAPK1CA9
SCHEMBL29906097 0.80 ESR1 (0.55) ALDH1A1CA9CA12CA1ESR1
SCHEMBL13460950 0.80 ESR1 (0.55) ALDH1A1CA9CA12CA1ESR1
SCHEMBL11246411 0.80 POLB (0.77) POLBTDP1CTDSP1ALDH1A1SMN1; SMN2
SCHEMBL9277775 0.80 ESR1 (0.43) POLBS100BALDH1A1SMN1; SMN2MAPK1
SCHEMBL9156607 0.79 ESR1 (0.42) POLBS100BALDH1A1MAPK1CA9
SCHEMBL15493901 0.79 CA12 (0.46) POLBTDP1S100BALDH1A1MAPK1
SCHEMBL18470137 0.79 POLB (0.63) POLBTDP1CTDSP1S100BALDH1A1
SCHEMBL818923 0.78 MAPK1 (0.49) ALDH1A1SMN1; SMN2MAPK1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138257-B1 Bis(trialkylsiloxyphenyl)-arylfluoride imide AB2 monomers, hyperbranched polymers and nanoclay composites therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2012-03-20 — — US disclosed
US-6639042-B1 Organic solvent soluble THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2003-10-28 — — US disclosed
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