SCHEMBL19365413

SCHEMBL19365413

O=C(Nc1nnc(-c2ccccc2)o1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 0.50
▸ ADCY8 P40145 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ATR Q13535 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GPR65 Q8IYL9 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL19670556 0.92 ADCY1 (0.43) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL19670414 0.92 ADCY1 (0.41) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL19670189 0.87 ADCY1 (0.50) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL16250000 0.86 ADCY1 (0.49) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL19670497 0.84 MAPT (0.45) KDM4EHTTHSD17B10LMNAL3MBTL1
SCHEMBL19706157 0.82 ADCY1 (0.52) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL19670476 0.81 TRPV1 (0.46) MAPK1
SCHEMBL19670440 0.80 CA12 (0.42) TP53KMT2A
SCHEMBL19670299 0.80 FYN (0.43) KDM4EHTTHSD17B10LMNAMAPK1
SCHEMBL19670466 0.78 CA2 (0.41) HTTHSD17B10LMNAALDH1A1SMN1; SMN2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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