SCHEMBL27383531

SCHEMBL27383531

Cc1cccc(Cn2cccc(F)c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.61
▸ POLB P06746 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.53
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47

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
SCHEMBL27383780 0.84 MAPT (0.68) MAPTPOLBTP53RXFP1LMNA
SCHEMBL28223471 0.83 MAPT (0.62) MAPTPOLBTP53RXFP1LMNA
SCHEMBL30799111 0.82 CNR1 (0.51) MAPTPOLBTP53LMNATHRB
SCHEMBL20995404 0.82 EGLN1 (0.69) MAPTPOLBTP53RXFP1LMNA
SCHEMBL27383530 0.79 MAPT (0.65) MAPTPOLBTP53RXFP1LMNA
SCHEMBL17477640 0.78 MAPT (0.63) MAPTPOLBTP53RXFP1LMNA
SCHEMBL27383551 0.77 MAPT (0.56) MAPTPOLBTP53RXFP1LMNA
SCHEMBL14611520 0.76 MAPT (0.57) MAPTPOLBTP53LMNAMEN1
SCHEMBL29092601 0.75 BRD4 (0.74) MAPTTP53RXFP1LMNAMEN1
SCHEMBL30647255 0.75 BRD4 (0.74) MAPTTP53RXFP1LMNAMEN1

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
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