SCHEMBL21739503

SCHEMBL21739503

C=C(C)N1CCN2C(=O)COCC2C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
NOTUM Q6P988 1/20 0.31

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
SCHEMBL3779291 0.81 PIK3CD (0.39) PIK3CDNOTUM
SCHEMBL3774805 0.81 PIK3CD (0.39) PIK3CDNOTUM
SCHEMBL3772792 0.81 PIK3CD (0.39) PIK3CDNOTUM
SCHEMBL21739460 0.76 SPR (0.37)
SCHEMBL21739328 0.76 SPR (0.37)
SCHEMBL994944 0.76 USP30 (0.44) PIK3CD
SCHEMBL9978161 0.76 USP30 (0.44) PIK3CD
SCHEMBL3772890 0.76 USP30 (0.44) PIK3CD
SCHEMBL14329347 0.76 HTR2A (0.39) PIK3CDNOTUM
SCHEMBL8260056 0.76 HTR2A (0.39) PIK3CDNOTUM

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
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed