SCHEMBL30312973

SCHEMBL30312973

COC(=O)c1ccc(N(C)C(=O)C2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
FASN P49327 4/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
BTK Q06187 2/20 0.40
EPHX2 P34913 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 2/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL2394049 0.86 FASN (0.45) FASNKDM1AMAOBBTKEPHX2
SCHEMBL2394045 0.86 FASN (0.45) FASNKDM1AMAOBBTKEPHX2
SCHEMBL30312921 0.79 USP30 (0.45) FASNKDM1AMAOBKDM4DBTK
SCHEMBL32677539 0.78 KDM1A (0.50) KDM1AMAOBKDM4DBTKEPHX2
SCHEMBL31114455 0.76 EPHX2 (0.59) KDM1AMAOBEPHX2
SCHEMBL14780694 0.76 BTK (0.51) KDM1AMAOBBTKEPHX2DRD2
SCHEMBL26669722 0.76 BTK (0.51) KDM1AMAOBBTKEPHX2DRD2
SCHEMBL5095952 0.76 BTK (0.51) KDM1AMAOBBTKEPHX2DRD2
SCHEMBL573140 0.75 BTK (0.48) KDM1AMAOBBTKEPHX2DRD2
SCHEMBL573139 0.75 BTK (0.48) KDM1AMAOBBTKEPHX2DRD2

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-4146660-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF Nurix Therapeutics, Inc. (US) 2023-03-15 EP disclosed