SCHEMBL27799412

SCHEMBL27799412

O=C(O)c1cnn(-c2cccc(-c3cccc(I)c3O)n2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.59
NFE2L2 Q16236 3/20 0.59
GUCY1A1 Q02108 10/20 0.51
GUCY1B1 Q02153 10/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.44
CRHBP P24387 1/20 0.44
MC4R P32245 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL1780167 0.85 GUCY1A1 (0.71) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3997434 0.82 KEAP1 (0.57) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL20847835 0.80 KEAP1 (0.56) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL27799338 0.79 KEAP1 (0.57) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL17397561 0.79 GUCY1A1 (0.79) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3994637 0.78 KEAP1 (0.73) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL4001274 0.78 KEAP1 (0.58) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3995012 0.78 KEAP1 (0.66) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL10182607 0.78 KEAP1 (0.59) KEAP1NFE2L2GUCY1A1GUCY1B1POLB
SCHEMBL3992406 0.77 KEAP1 (0.68) KEAP1NFE2L2GUCY1A1GUCY1B1POLB

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
CN-101939053-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2011-01-05 CN disclosed