SCHEMBL9259550

SCHEMBL9259550

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP2C9 P11712 1/20 0.57
TBXA2R P21731 4/20 0.54
THRB P10828 2/20 0.54
PKM P14618 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPY5R Q15761 1/20 0.47

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
SCHEMBL9256799 0.87 TBXA2R (0.54) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9259912 0.87 TBXA2R (0.54) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9253452 0.87 TBXA2R (0.54) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9261734 0.87 TBXA2R (0.49) MEN1KMT2AALDH1A1CYP2C9TBXA2R
Bicarbonate SCHEMBL9501977 0.85 TBXA2R (0.55) MEN1KMT2AALDH1A1CYP2C9TBXA2R
SCHEMBL9262210 0.84 THRB (0.57) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9261756 0.84 FABP4 (0.52) ALDH1A1TBXA2RLMNA
SCHEMBL9261137 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9264642 0.83 TBXA2R (0.53) MEN1KMT2AALDH1A1TBXA2RTHRB
SCHEMBL9254047 0.82 TBXA2R (0.49) MEN1KMT2AALDH1A1TBXA2RTHRB

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 7 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 claimed
EP-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed
EP-0361113-A1 Sulfonamidoalkyl cycloalkane compounds, processes for their production and pharmaceutical preparations Roche Diagnostics GmbH (DE) 1990-04-04 EP claimed
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