SCHEMBL22822397

SCHEMBL22822397

CC(=O)N(C)CC(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.37
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRM1 P11229 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL22827795 0.82 CYP3A4 (0.40) MEN1KMT2ACHRM1ALDH1A1HPGD
SCHEMBL7725268 0.79 MEN1 (0.43) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL23475900 0.79 MEN1 (0.43) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL24040864 0.78 CA1 (0.44) MEN1FAAHMAPK1KMT2ACA1
SCHEMBL858940 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL4708611 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL19414066 0.76 KMT2A (0.41) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL17991738 0.75 ALDH1A1 (0.41) CHRM5CHRM3CHRM1ALDH1A1DPP4
SCHEMBL22819447 0.75 MEN1 (0.41) MEN1FAAHMAPK1KMT2ATSHR
SCHEMBL25128749 0.75 CYP2D6 (0.45) KMT2AALDH1A1MMP1MMP8HPGD

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-2020254609-A1 TYROSINE KINASE INHIBITOR CONJUGATES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed