SCHEMBL8167642

SCHEMBL8167642

O=S(=O)(Oc1ccc(-c2ncc(OCc3ccccc3)cn2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
PPARG P37231 1/20 0.39
ALKBH1 Q13686 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
GSTP1 P09211 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
AR P10275 2/20 0.38
MGLL Q99685 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL7107856 0.88 P4HTM (0.45) P4HTMCA1CA2PPARGALKBH1
SCHEMBL7106714 0.79 NPC1 (0.45) CA1CA2
SCHEMBL25453605 0.78 CA2 (0.44) CA1CA2CA12CA9PIK3CD
SCHEMBL7045992 0.77 CA2 (0.51) CA1CA2CA12CA9PIK3CD
SCHEMBL6474468 0.76 CA2 (0.50) CA1CA2CA12CA9PIK3CD
SCHEMBL7105761 0.76 RARB (0.51) CA1CA2GAA
SCHEMBL28646599 0.74 RAB9A (0.52) P4HTMALKBH1GSTP1GAANR4A1
SCHEMBL6479936 0.74 CA2 (0.45) CA1CA2PPARGCA9PIK3CD
SCHEMBL20211888 0.74 ESR1 (0.46) PPARGGSTP1MAOB
SCHEMBL28658874 0.73 ALKBH1 (0.50) P4HTMALKBH1GSTP1ARMRGPRX4

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-6139924-A CONTAINING A PYRIMIDINE RING 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US disclosed