SCHEMBL17706687

SCHEMBL17706687

Ic1cc(N2CCOCC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 2/20 0.49
▸ LMNA P02545 2/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ PIK3CA P42336 3/20 0.43
▸ PRKDC P78527 3/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ MAPT P10636 5/20 0.42
▸ HTT P42858 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ KMO O15229 1/20 0.41
▸ TP53 P04637 2/20 0.41

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
SCHEMBL27936855 0.80 LRRK2 (0.59) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL11981573 0.79 TP53 (0.49) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL21807926 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL30321663 0.79 LGMN (0.53) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL31051506 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL114416 0.79 LGMN (0.53) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL3304237 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL3724026 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL30900618 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA
SCHEMBL25718631 0.79 LMNA (0.46) LGMNLMNACDK1CDK2PIK3CA

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
EP-2768834-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-27 — — EP disclosed
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