SCHEMBL8043935

SCHEMBL8043935

FC(F)(F)c1cc(C2=NC(=S)N=N2)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
IKBKB O14920 1/20 0.33
CES2 O00748 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL8041917 0.82 CTSS (0.44) IKBKB
SCHEMBL8047497 0.81 KIF11 (0.45)
SCHEMBL8043481 0.70 CES2 (0.38) CES2
SCHEMBL8046152 0.69 CHRNB4 (0.31)
SCHEMBL8044653 0.69 BACE1 (0.35)
SCHEMBL9482063 0.68 RXRA (0.54) RXRARXRBRXRGIKBKBCES2
SCHEMBL13866628 0.66 RXRA (0.52) RXRARXRBRXRGIKBKBCES2
SCHEMBL19099829 0.65 ADRB1 (0.34) RXRARXRBRXRGIKBKBCES2
SCHEMBL8047010 0.65 KIF11 (0.44)
SCHEMBL440959 0.65 CES2 (0.58) RXRARXRBRXRGCES2

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed