SCHEMBL24256875

SCHEMBL24256875

CN(C)c1ccc(CCNc2ncnc3c2sc2nc(CCCCCCc4nc5sc6c(NCCc7cccs7)ncnc6c5c5c4CCC5)c4c(c23)CCC4)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
HTT P42858 5/20 0.48
RAD52 P43351 4/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
IDE P14735 1/20 0.48
UBE2N P61088 1/20 0.48
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
ADRB2 P07550 2/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL24256695 0.86 KDM4E (0.53) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256614 0.85 HTT (0.55) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256699 0.74 KDM4E (0.49) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256703 0.74 POLB (0.47) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256613 0.73 RAD52 (0.47) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256352 0.72 POLB (0.51) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256356 0.71 NPC1 (0.48) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256846 0.71 KMT2A (0.49) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256693 0.70 KDM4E (0.46) KDM4EHTTRAD52MAPK1MAPT
SCHEMBL24256706 0.70 NPC1 (0.49) KDM4EHTTRAD52MAPK1MAPT

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-2022035806-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed