SCHEMBL10182607

SCHEMBL10182607

O=C(O)c1cnn(-c2cccc(-c3cc(C(F)F)ccc3O)n2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.59
NFE2L2 Q16236 3/20 0.59
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GUCY1A1 Q02108 12/20 0.44
GUCY1B1 Q02153 12/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
MC4R P32245 1/20 0.43
CRHR2 Q13324 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL10183175 0.87 KEAP1 (0.61) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL15167596 0.86 GUCY1A1 (0.62) KEAP1NFE2L2POLBMAPTKDM4E
SCHEMBL27799338 0.86 KEAP1 (0.57) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL4389379 0.79 KEAP1 (0.49) KEAP1NFE2L2KDM4EALDH1A1GUCY1A1
SCHEMBL27799412 0.78 KEAP1 (0.59) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL4001274 0.77 KEAP1 (0.58) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL18734060 0.77 KEAP1 (0.73) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL3997434 0.76 KEAP1 (0.57) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL3994663 0.76 KEAP1 (0.68) KEAP1NFE2L2POLBMAPTSMN1; SMN2
SCHEMBL15168665 0.76 GUCY1A1 (0.60) KEAP1NFE2L2POLBMAPTKDM4E

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-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed