SCHEMBL24047769

SCHEMBL24047769

CC(C)CC(=O)NCCNI

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
PSMB5 P28074 1/20 0.40
PTPN1 P18031 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL18908668 0.89 SMN1; SMN2 (0.59) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL607171 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18716191 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL13194131 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL19116931 0.80 TP53 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23665086 0.80 KMT2A (0.56) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20340484 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL22054929 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18674311 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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-2021236775-A1 SMALL MOLECULE DEGRADERS OF SHP2 PROTEIN THE REGENTS OF THE UNIVERSITY OFMICHIGAN (US) 2021-11-25 WO disclosed