SCHEMBL1848972

SCHEMBL1848972

Cc1cnc(NC(=O)C(O)COC(C)COCI)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GCK P35557 13/20 0.35
KCNH2 Q12809 6/20 0.35
IDO1 P14902 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL839153 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1
SCHEMBL839825 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1
SCHEMBL839154 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1
SCHEMBL1848056 0.85 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL838004 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1NPC1
SCHEMBL838003 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1NPC1
SCHEMBL839004 0.84 NOTUM (0.38) NOTUMGCKKCNH2IDO1
SCHEMBL839005 0.84 NOTUM (0.38) NOTUMGCKKCNH2IDO1
SCHEMBL839537 0.82 NOTUM (0.40) NOTUMGCKKCNH2IDO1
SCHEMBL839536 0.82 NOTUM (0.40) NOTUMGCKKCNH2IDO1

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
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed