SCHEMBL30799080

SCHEMBL30799080

O=c1cc(Cl)ccn1Cc1cccc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
MAPK14 Q16539 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK1 P28482 4/20 0.41
DBH P09172 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL27383532 0.82 MAPT (0.65) EGLN1MAPK14TP53MAPTPOLB
SCHEMBL30798921 0.82 MAPT (0.47) MAPK14TP53MAPTPOLBKDM4E
SCHEMBL30799185 0.80 POLB (0.50) EGLN1MAPK14POLBKDM4EALDH1A1
SCHEMBL18860611 0.79 CNR1 (0.41) EGLN1MAPK14POLBLMNASIGMAR1
SCHEMBL27383587 0.79 MAPK14 (0.58) MAPK14TP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL27383546 0.79 MAPT (0.49) EGLN1TP53MAPTPOLBALDH1A1
SCHEMBL30799299 0.78 MAPT (0.52) MAPK14TP53MAPTLMNASIGMAR1
SCHEMBL25852107 0.76 EGLN1 (0.54) EGLN1MAPK14TP53MAPTPOLB
SCHEMBL32665431 0.76 MAPK14 (0.44) EGLN1MAPK14POLBLMNACNR1
SCHEMBL18860569 0.75 EGLN1 (0.53) EGLN1TP53MAPTPOLBKDM4E

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