SCHEMBL24822452

SCHEMBL24822452

CNC1(c2ccc(CNC(=O)Cn3c4ccccc4c4cccnc43)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NPY5R Q15761 2/20 0.42
POLB P06746 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MARK4 Q96L34 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
THRB P10828 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
SCHEMBL24821309 0.89 NTRK1 (0.42) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24821270 0.87 HDAC3 (0.45) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24822535 0.86 NTRK1 (0.43) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24821298 0.85 HDAC3 (0.52) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24821363 0.83 MARK4 (0.55) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24821290 0.80 HDAC6 (0.49) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24822571 0.78 HDAC3 (0.47) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24821153 0.76 HDAC3 (0.45) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24822555 0.75 POLB (0.44) TP53HDAC3HDAC1HDAC2HDAC6
SCHEMBL24823218 0.73 HDAC6 (0.53) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2

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-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed