SCHEMBL3626358

SCHEMBL3626358

O=C(O)c1cnn(-c2nccc(-c3ccccc3OCc3ccccc3-c3ccccc3)n2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KEAP1 Q14145 5/20 0.41
NFE2L2 Q16236 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 4/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 2/20 0.38
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
FFAR1 O14842 1/20 0.36

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
SCHEMBL3626353 0.90 MAPT (0.44) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3616710 0.85 POLB (0.42) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627313 0.85 RAB9A (0.47) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627139 0.84 SYK (0.38) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3620278 0.83 RAB9A (0.50) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627484 0.83 RAB9A (0.46) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL14952822 0.83 POLB (0.40) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3628869 0.82 KDM4C (0.39) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3626356 0.81 POLB (0.47) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3627409 0.80 POLB (0.39) MAPTPOLBSMN1; 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