SCHEMBL9254040

SCHEMBL9254040

O=C(O)C1CCC(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MEP1B Q16820 1/20 0.51
▸ MMP1 P03956 1/20 0.48
▸ THRB P10828 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TBXA2R P21731 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPY5R Q15761 1/20 0.43

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
Bicarbonate SCHEMBL9505526 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1CYP2C9MEP1B
SCHEMBL9259550 0.81 MEN1 (0.57) MEN1KMT2AALDH1A1CYP2C9THRB
SCHEMBL9739268 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1CYP2C9THRB
SCHEMBL14395130 0.74 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP2C9LMNA
SCHEMBL9261734 0.74 TBXA2R (0.49) MEN1KMT2AALDH1A1CYP2C9THRB
SCHEMBL15152638 0.73 MAPT (0.46) MEN1KMT2AALDH1A1CYP2C9SMN1; SMN2
SCHEMBL15152636 0.73 MAPT (0.46) MEN1KMT2AALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9130065 0.73 TBXA2R (0.59) MEP1BMMP1TBXA2R
SCHEMBL6850445 0.72 MEP1B (0.62) MEN1KMT2AALDH1A1MEP1BMMP1
SCHEMBL23014305 0.71 MEP1B (0.60) MEP1BMMP1TBXA2RTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 — — US disclosed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 — — EP disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 — — US disclosed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 — — EP disclosed
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