SCHEMBL30862437

SCHEMBL30862437

O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.67
▸ TGM1 P22735 12/20 0.67
▸ F13A1 P00488 10/20 0.67
▸ TGM3 Q08188 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29248577 1.00 TGM2 (0.67) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL31277593 0.88 TGM2 (0.68) TGM2TGM1F13A1TGM3POLB
SCHEMBL30862433 0.88 TGM2 (0.68) TGM2TGM1F13A1TGM3POLB
SCHEMBL5253097 0.85 POLB (0.71) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL10064223 0.84 TGM2 (0.70) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL4235140 0.81 TGM2 (0.67) TGM2TGM1F13A1TGM3POLB
SCHEMBL17277447 0.81 TGM2 (0.69) TGM2TGM1F13A1TGM3ALDH1A1
SCHEMBL26104923 0.81 TGM2 (0.67) TGM2TGM1F13A1TGM3POLB
SCHEMBL1872113 0.81 TGM2 (0.67) TGM2TGM1F13A1TGM3POLB
SCHEMBL3971768 0.81 TGM2 (0.69) TGM2TGM1F13A1TGM3ALDH1A1

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
CN-118076594-A Sulfonylpiperazinyl compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-24 — — CN disclosed
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