SCHEMBL31120886

SCHEMBL31120886

C=CC(=O)N1CCN(c2ccccc2-c2cc(OC)c3c(-c4ccc(OC)c(S(N)(=O)=O)c4OC)noc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL31120843 0.85 BTK (0.39) —
SCHEMBL26073999 0.80 KAT6A (0.51) —
SCHEMBL30545803 0.80 KAT6A (0.51) —
SCHEMBL31605601 0.71 CA1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL29518564 0.70 CA4 (0.41) CA12CA1CA2CA9
SCHEMBL31605619 0.69 CA12 (0.39) ALDH1A1KMT2AMEN1HTTCA12
SCHEMBL31605580 0.69 CA4 (0.44) KDM4ETSHRMAPTLMNACYP3A4
SCHEMBL26076454 0.69 KAT6A (0.53) —
SCHEMBL26134561 0.69 KAT6A (0.50) —
SCHEMBL26074002 0.69 KAT6A (0.50) —

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-2023192817-A9 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2024-10-03 — — WO disclosed
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