SCHEMBL30799299

SCHEMBL30799299

COc1ccn(Cc2cccc(I)c2)c(=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.52
MAPK14 Q16539 1/20 0.51
LPO P22079 3/20 0.50
CMA1 P23946 1/20 0.49
KMT2A Q03164 2/20 0.43
ADORA2A P29274 1/20 0.42
PTGER3 P43115 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRM5 P08912 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL32665427 0.89 MAPT (0.59) MAPTTP53LMNALPOCMA1
SCHEMBL17392844 0.84 MAPK14 (0.70) MAPTTP53LMNAMAPK14LPO
SCHEMBL30798921 0.81 MAPT (0.47) MAPTTP53MAPK14KMT2AADORA2A
SCHEMBL32665079 0.78 MAPT (0.52) MAPTTP53LMNAMAPK14CMA1
SCHEMBL30799080 0.78 EGLN1 (0.47) MAPTTP53LMNAMAPK14SIGMAR1
SCHEMBL461145 0.78 MAPT (0.59) MAPTTP53LMNAMAPK14LPO
SCHEMBL18860613 0.77 MAPT (0.55) MAPTTP53LMNALPOCMA1
SCHEMBL30799185 0.76 POLB (0.50) MAPK14SIGMAR1
SCHEMBL18860611 0.76 CNR1 (0.41) LMNAMAPK14ADORA2ASIGMAR1
SCHEMBL28817529 0.75 MAPT (0.63) MAPTTP53LMNALPOCMA1

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-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed