SCHEMBL7747896

SCHEMBL7747896

C=CC(=O)NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 3/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 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
SCHEMBL5670996 0.78 CA2 (0.40) CA2ALDH1A1TGM2POLBSMN1; SMN2
SCHEMBL20100335 0.75 TSHR (0.41) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL15680116 0.75 CA2 (0.37) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL26217 0.74
SCHEMBL2053132 0.74 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7165464 0.74
Ethylene SCHEMBL8621311 0.72 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2
Formaldehyde SCHEMBL16146046 0.72 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL3284715 0.72 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2
Methane SCHEMBL9845065 0.72 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1TGM2

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-1040116-A4 FUNCTIONALIZED PYRIMIDINE DERIVATIVES SCRIPPS RESEARCH INST (US) 2001-10-31 EP disclosed
US-6175001-B1 DERIVATIZED AT C5 TO CONTAIN FUNCTIONAL GROUP THAT MIMICS THE PROPERTY OF NATURALLY OCCURRING AMINO ACID; FOR USE IN POLYMERASE CHAIN REACTIONS THE SCRIPPS RESEARCH INSTITUTE 2001-01-16 US disclosed
EP-1040116-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES The Scripps Research Institute (US) 2000-10-04 EP disclosed
WO-2000052192-A1 ENZYMATIC DNA MOLECULES THAT CONTAIN MODIFIED NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-08 WO disclosed
US-6110462-A NUCLEOTIDE CATALYSTS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-08-29 US disclosed
WO-2000023456-A1 FUNCTIONALIZED PYRIMIDINE DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 2000-04-27 WO disclosed
EP-0330221-B1 End labeled nuceotide probe ENZO BIOCHEM INC (US) 1997-10-29 EP disclosed
EP-0783000-A2 Method for synthesizing end labeled nucleotide probes ENZO BIOCHEM, INC. (US) 1997-07-09 EP disclosed
US-5082830-A Sequence determination, nonradioactive ENZO BIOCHEM, INC. (US) 1992-01-21 US disclosed
EP-0330221-A2 End labeled nuceotide probe ENZO BIOCHEM, INC. (US) 1989-08-30 EP disclosed