SCHEMBL30163499

SCHEMBL30163499

C=Cc1ccc(/C=C2\C(=O)c3ccccc3N2C(C)=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 5/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CES1 P23141 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ ALPL P05186 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ MIF P14174 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ HPGD P15428 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
SCHEMBL31428589 0.86 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428848 0.86 MAPT (0.60) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428748 0.85 MAPT (0.54) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428731 0.82 MAPT (0.55) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL30163547 0.81 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31429081 0.81 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428963 0.80 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428792 0.80 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL30163485 0.80 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL31428790 0.79 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2TDP1MAPK1

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 — — WO disclosed
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