SCHEMBL22923593

SCHEMBL22923593

CCC(=O)NCCC(C)(C)OCCC(C)(C)C(=O)NCCCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.33
EPHX1 P07099 2/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
CASP2 P42575 1/20 0.31
HPGD P15428 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL22923591 0.85 CASP2 (0.41) MEN1KMT2AEPHX1CNR1CASP2
SCHEMBL22923596 0.81 CASP2 (0.55) MEN1KMT2AEPHX1CNR1CASP2
SCHEMBL24489332 0.80 MEN1 (0.41) MEN1KMT2ARECQLCNR1CNR2
SCHEMBL24920323 0.80
SCHEMBL25851494 0.79 CCR2 (0.32)
SCHEMBL22923592 0.78 CASP2 (0.35) MEN1KMT2AEPHX1CASP2
SCHEMBL15855122 0.77 MEN1 (0.68) MEN1KMT2ARECQLEPHX1CASP2
SCHEMBL31035882 0.77 MEN1 (0.68) MEN1KMT2ARECQLEPHX1CASP2
SCHEMBL29040294 0.77 MEN1 (0.68) MEN1KMT2ARECQLEPHX1CASP2
SCHEMBL15855121 0.77 MEN1 (0.68) MEN1KMT2ARECQLEPHX1CASP2

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-2021013693-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed