SCHEMBL7053876

SCHEMBL7053876

C[N]c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
NOS1 P29475 1/20 0.44
ESPL1 Q14674 1/20 0.41
EPAS1 Q99814 3/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX1 P51575 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
KIF11 P52732 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL14257251 0.84 ALDH1A1 (0.46) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL17213726 0.82 ALDH1A1 (0.44) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL8519013 0.80 ALDH1A1 (0.57) ALDH1A1ESPL1EPAS1CA2LMNA
SCHEMBL10450509 0.79 ALDH1A1 (0.42) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL18856777 0.78 CA2 (0.43) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL15545121 0.78 MIF (0.41) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL7049487 0.77 NOS1 (0.44) ALDH1A1NOS1CA2CA9CA12
SCHEMBL7051747 0.77 KIF11 (0.47) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL16471298 0.76 CA2 (0.41) ALDH1A1NOS1ESPL1EPAS1CA2
SCHEMBL7050591 0.76 TSHR (0.52) ALDH1A1NOS1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed