SCHEMBL31399731

SCHEMBL31399731

COc1nc(C)cc2c(S(=O)(=O)N3CCN(C(C)(C)C)CC3)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ USP2 O75604 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 3/20 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
SCHEMBL31399719 0.83 ALDH1A1 (0.48) TP53KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL14256516 0.70 KMT2A (0.75) KMT2AMEN1SMN1; SMN2POLBHTT
SCHEMBL8564336 0.69 MEN1 (0.83) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL12416738 0.69 ALDH1A1 (0.40) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL20782756 0.68 CHRM1 (0.54) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL2956622 0.68 MEN1 (0.58) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL21688438 0.68 ROCK2 (0.66) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL31399746 0.67 APEX1 (0.44) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL31399766 0.67 ROCK2 (0.63) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL31261864 0.67 ALDH1A1 (0.35) KMT2ASMN1; SMN2ALDH1A1USP2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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