SCHEMBL24497289

SCHEMBL24497289

CC(=O)NCCOCCOCCNC(=O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PAOX Q6QHF9 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL18908734 1.00 KMT2A (0.63) KMT2AMEN1MAPK1KDM4EHIF1A
SCHEMBL18908735 0.92 KMT2A (0.73) KMT2AMEN1MAPK1KDM4EMTNR1A
SCHEMBL10447931 0.92 KMT2A (0.73) KMT2AMEN1MAPK1KDM4EMTNR1A
SCHEMBL18908674 0.92 KMT2A (0.73) KMT2AMEN1MAPK1KDM4EMTNR1A
SCHEMBL12387741 0.90 KMT2A (0.69) KMT2AMEN1MAPK1MTNR1ATSHR
SCHEMBL5155263 0.85 MEN1 (0.56) KMT2AMEN1MAPK1KDM4EHIF1A
SCHEMBL19309079 0.85 MEN1 (0.56) KMT2AMEN1MAPK1KDM4EHIF1A
SCHEMBL23568253 0.85 KMT2A (0.59) KMT2AMEN1MAPK1TSHRCYP2D6
SCHEMBL25128239 0.85 KMT2A (0.59) KMT2AMEN1MAPK1MTNR1ATSHR
SCHEMBL21106192 0.85 KMT2A (0.59) KMT2AMEN1MAPK1TSHRCYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120354-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed