SCHEMBL25160271

SCHEMBL25160271

CC[C@@H]([C@@H](C)O)n1ccn(Cc2cccc(C)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL21538417 0.85 MAPT (0.50) MAPTPOLBTP53ALDH1A1KMT2A
SCHEMBL20644471 0.79 SMN1; SMN2 (0.36) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL25160177 0.76 TLR7 (0.32) MAPTTP53TDP1
SCHEMBL25160444 0.70 PTGS2 (0.35) ALDH1A1KDM4EHPGD
SCHEMBL25160909 0.70 PTGS2 (0.35) ALDH1A1KDM4EHPGD
SCHEMBL20644385 0.70 PRMT5 (0.38) —
SCHEMBL25160112 0.69 RGS4 (0.34) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL20644462 0.68 — —
SCHEMBL20570136 0.68 TSHR (0.53) ALDH1A1KMT2AMEN1CYP11B1CYP11B2
SCHEMBL27383784 0.67 POLB (0.59) MAPTPOLBTP53ALDH1A1KMT2A

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
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