SCHEMBL16747821

SCHEMBL16747821

O=Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 4/20 0.39
▸ BMI1 P35226 3/20 0.34
▸ GALR1 P47211 3/20 0.34
▸ TUBB4A P04350 3/20 0.34
▸ TUBB P07437 3/20 0.34
▸ TUBA3C P0DPH7 3/20 0.34
▸ TUBA1B P68363 3/20 0.34
▸ TUBA4A P68366 3/20 0.34
▸ TUBB4B P68371 3/20 0.34
▸ TUBB3 Q13509 3/20 0.34
▸ TUBB2A Q13885 3/20 0.34
▸ TUBB8 Q3ZCM7 3/20 0.34
▸ TUBA3E Q6PEY2 3/20 0.34
▸ TUBA1A Q71U36 3/20 0.34
▸ TUBA1C Q9BQE3 3/20 0.34
▸ TUBB6 Q9BUF5 3/20 0.34
▸ TUBB2B Q9BVA1 3/20 0.34
▸ TUBB1 Q9H4B7 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34

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
SCHEMBL16747897 0.89 THRB (0.40) GALR2GALR1TUBB4ATUBBTUBA3C
SCHEMBL16740301 0.86 TUBB4A (0.44) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL16747822 0.86 GALR2 (0.41) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL16740327 0.85 GALR2 (0.40) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL18094393 0.84 PKM (0.39) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL16740085 0.84 IRAK4 (0.43) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL16747824 0.83 GALR2 (0.39) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL16740299 0.83 BMI1 (0.40) GALR2BMI1TUBB4ATUBBTUBA3C
SCHEMBL16747825 0.81 GALR2 (0.37) GALR2BMI1GALR1TUBB4ATUBB
SCHEMBL15742598 0.79 GALR2 (0.41) GALR2BMI1GALR1TUBB4ATUBB

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
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO disclosed
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