SCHEMBL10496397

SCHEMBL10496397

CCN(CCCCC(C)COS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.43
TSHR P16473 1/20 0.39
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 8/20 0.38
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CAMK2D Q13557 1/20 0.37
P2RX4 Q99571 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL7320136 0.90 ROCK2 (0.44) P2RX7TSHRROCK2ROCK1NR3C1
SCHEMBL7322056 0.90 P2RX7 (0.44) P2RX7ROCK2ROCK1NR3C1ALDH1A1
SCHEMBL7326683 0.87 P2RX7 (0.43) P2RX7TSHRROCK2ROCK1ALDH1A1
SCHEMBL10496387 0.85 ROCK2 (0.42) P2RX7ROCK2ROCK1NR3C1LMNA
SCHEMBL7319611 0.85 P2RX7 (0.43) P2RX7TSHRROCK2ROCK1SMN1; SMN2
SCHEMBL7323326 0.83 P2RX7 (0.43) P2RX7ROCK2ROCK1NR3C1LMNA
SCHEMBL7321267 0.82 TSHR (0.45) P2RX7TSHRROCK2ROCK1SMN1; SMN2
SCHEMBL10496402 0.81 ROCK2 (0.48) P2RX7TSHRROCK2ROCK1LMNA
SCHEMBL7319421 0.81 ROCK2 (0.48) P2RX7TSHRROCK2ROCK1LMNA
SCHEMBL7316438 0.81 ROCK2 (0.48) P2RX7TSHRROCK2ROCK1LMNA

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
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed