SCHEMBL26757595

SCHEMBL26757595

O=C(NC1CCN(S(=O)(=O)C2CCN(CC3CCN(C4CNC4)CC3)CC2)CC1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 9/20 0.48
▸ F13A1 P00488 5/20 0.48
▸ TGM1 P22735 5/20 0.48
▸ PKM P14618 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TGM6 O95932 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ CCR1 P32246 2/20 0.40
▸ CHRM4 P08173 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
SCHEMBL26757389 0.88 TGM2 (0.49) TGM2F13A1TGM1PKMHTT
SCHEMBL25935100 0.82 ALDH1A1 (0.57) TGM2F13A1TGM1ALDH1A1GAA
SCHEMBL26756621 0.80 TGM2 (0.56) TGM2F13A1TGM1PKMHTT
SCHEMBL30981171 0.77 ALDH1A1 (0.54) TGM2F13A1TGM1ALDH1A1GAA
SCHEMBL30981106 0.76 ALDH1A1 (0.55) TGM2F13A1TGM1ALDH1A1GAA
SCHEMBL31334311 0.75 ALDH1A1 (0.58) TGM2F13A1TGM1ALDH1A1GAA
SCHEMBL17592966 0.74 TSHR (0.63) TGM2F13A1TGM1PKMHTT
SCHEMBL26341552 0.74 ALDH1A1 (0.62) TGM2F13A1TGM1PKMHTT
SCHEMBL13580104 0.73 ALDH1A1 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL26757387 0.73 STS (0.52) TGM2F13A1TGM1PKMHTT

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-2023205892-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-11-02 — — WO disclosed
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