SCHEMBL28294727

SCHEMBL28294727

N#Cc1cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1N1CCN(CCOC=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.42
PGR P06401 4/20 0.42
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 1/20 0.36
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28296378 0.83 DRD2 (0.38) HTR7HTR1AHTR2ADRD3HTR6
SCHEMBL28296376 0.82 NR3C1 (0.47) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL22273620 0.80 NR3C1 (0.46) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL22273724 0.79 RORC (0.46) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL28744878 0.78 USP2 (0.55) KMT2AHPGDLMNAALDH1A1GAA
SCHEMBL29564093 0.78 RORC (0.49) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL28941181 0.77 NR3C1 (0.41) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL22273619 0.76 NR3C1 (0.42) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL29563877 0.76 RORC (0.42) NR3C1PGRHTR7HTR1AHTR2A
SCHEMBL22274053 0.75 NR3C1 (0.42) NR3C1PGRPOLBKMT2AHPGD

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
CN-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN claimed
CN-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN disclosed