SCHEMBL9505643

SCHEMBL9505643

O=S(=O)(NCCC1CC[CH]CC1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
CYP19A1 P11511 1/20 0.47
CNR1 P21554 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9502641 0.85 GBA1 (0.57) TBXA2RALDH1A1KDM4ETSHRNPSR1
Bicarbonate SCHEMBL9501977 0.82 TBXA2R (0.55) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9257708 0.82 THRB (0.58) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9259550 0.81 MEN1 (0.57) TBXA2RALDH1A1TSHRKMT2AMEN1
SCHEMBL9253452 0.81 TBXA2R (0.54) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9256799 0.81 TBXA2R (0.54) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9259912 0.81 TBXA2R (0.54) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9264642 0.80 TBXA2R (0.53) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL27523774 0.79 KMT2A (0.51) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL8758502 0.78 TBXA2R (0.67) TBXA2RALDH1A1TSHRNPSR1TP53

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