SCHEMBL26023730

SCHEMBL26023730

CC(C)NCCN(C)C(=O)c1ccccc1C=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
GAA P10253 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
SCHEMBL24326661 0.80 KDM4E (0.34) KMT2AHPGDKDM4EATMHDAC6
SCHEMBL12287113 0.80 TP53 (0.50) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL19370673 0.78 MEN1 (0.48) KMT2AMEN1GAA
SCHEMBL21949741 0.77 KMT2A (0.38) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL24083692 0.77 GAA (0.52) KMT2AHPGDTP53ALDH1A1MAPT
SCHEMBL19676845 0.76 ADRA1D (0.42) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL25003658 0.76 MLYCD (0.50) KMT2AMEN1HPGDALDH1A1
SCHEMBL1647150 0.76 MEN1 (0.52) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL20777519 0.75 HPGD (0.43) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL18900760 0.74 HDAC6 (0.40) KMT2AMEN1HPGDTP53ALDH1A1

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
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed