SCHEMBL9501974

SCHEMBL9501974

N#CCOC1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
TBXA2R P21731 5/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.41
CYP19A1 P11511 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9254044 0.81 TBXA2R (0.49) CNR1TBXA2RALDH1A1TSHRPKM
SCHEMBL9266948 0.81 TBXA2R (0.49) CNR1TBXA2RALDH1A1TSHRPKM
SCHEMBL9254047 0.81 TBXA2R (0.49) CNR1TBXA2RALDH1A1TSHRPKM
SCHEMBL9738306 0.81 TBXA2R (0.48) TBXA2RALDH1A1KDM4ETSHRPKM
SCHEMBL9252366 0.80 MMP1 (0.48) TBXA2RALDH1A1TSHRPKMTHRB
SCHEMBL9260852 0.78 TSHR (0.50) TBXA2RALDH1A1TSHRPKMTHRB
SCHEMBL9260856 0.78 TSHR (0.50) TBXA2RALDH1A1TSHRPKMTHRB
SCHEMBL9255832 0.78 TBXA2R (0.50) TBXA2RALDH1A1KDM4ETSHRNPSR1
SCHEMBL9505643 0.76 TBXA2R (0.52) CNR1TBXA2RALDH1A1KDM4ETSHR
SCHEMBL9257708 0.75 THRB (0.58) TBXA2RALDH1A1KDM4ETSHRNPSR1

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 3 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
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