SCHEMBL27420162

SCHEMBL27420162

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
F2 P00734 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PRCP P42785 1/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
FKBP1A P62942 1/20 0.42
ELANE P08246 1/20 0.41
PIN1 Q13526 1/20 0.41
CMA1 P23946 1/20 0.40

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
SCHEMBL30877536 1.00 KMT2A (0.47) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL5035720 0.93 PRCP (0.48) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL30313463 0.85 TLR2 (0.47) KMT2APRCPELANECMA1
SCHEMBL30309004 0.84 F2 (0.52) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL4229009 0.84 KMT2A (0.55) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL4229005 0.84 KMT2A (0.55) KMT2AMEN1F2ALDH1A1SMN1; SMN2
SCHEMBL14723747 0.84 NPC1 (0.54) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL10118420 0.82 PRCP (0.52) KMT2AF2SMN1; SMN2PRCPCYP3A4
SCHEMBL10118436 0.82 PRCP (0.52) KMT2AF2SMN1; SMN2PRCPCYP3A4
SCHEMBL12972648 0.82 FKBP1A (0.51) KMT2AF2ALDH1A1SMN1; SMN2PRCP

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-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed