SCHEMBL25976159

SCHEMBL25976159

CC(C)CNC(=O)c1cccc(I)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.78
KMT2A Q03164 3/20 0.78
HSD17B10 Q99714 1/20 0.78
HPGD P15428 2/20 0.56
TP53BP1 Q12888 1/20 0.56
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
MLYCD O95822 1/20 0.49
LMNA P02545 3/20 0.48
ACACB O00763 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM5 P41594 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MTOR P42345 1/20 0.46

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
SCHEMBL2290271 0.89 GAA (0.61) GAAKMT2AHSD17B10HPGDTP53BP1
SCHEMBL24990888 0.85 GAA (0.56) GAAKMT2AHSD17B10TP53BP1ATM
SCHEMBL6889431 0.82 GAA (0.87) GAAKMT2AHSD17B10HPGDATM
SCHEMBL27727377 0.82 GAA (0.87) GAAKMT2AHSD17B10HPGDATM
SCHEMBL161880 0.82 GAA (0.81) GAAKMT2AHSD17B10HPGDATM
SCHEMBL161881 0.82 KMT2A (0.81) GAAKMT2AHSD17B10HPGDATM
SCHEMBL1753831 0.82 KMT2A (0.81) GAAKMT2AHSD17B10HPGDATM
SCHEMBL13381540 0.81 TP53BP1 (0.60) GAAKMT2AHSD17B10TP53BP1HDAC1
SCHEMBL20888444 0.81 KMT2A (0.73) GAAKMT2AHSD17B10HPGDATM
SCHEMBL7090374 0.81 GAA (0.78) GAAKMT2AHSD17B10HPGDATM

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed