SCHEMBL3626356

SCHEMBL3626356

O=C(O)c1cnn(-c2nccc(-c3ccccc3OC(c3ccccc3)c3ccccc3)n2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.38
KMO O15229 1/20 0.38
MALT1 Q9UDY8 5/20 0.37
TGFBR1 P36897 1/20 0.37
CRHBP P24387 1/20 0.36
MC4R P32245 1/20 0.36
CRHR2 Q13324 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3626358 0.81 MAPT (0.44) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3626353 0.81 MAPT (0.44) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3616710 0.79 POLB (0.42) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627313 0.78 RAB9A (0.47) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3620278 0.77 RAB9A (0.50) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL14952822 0.77 POLB (0.40) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627409 0.75 POLB (0.39) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627139 0.75 SYK (0.38) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL3031016 0.74 GUCY1A1 (0.56)
SCHEMBL3627484 0.74 RAB9A (0.46) POLBMAPTSMN1; SMN2KEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed