SCHEMBL29935547

SCHEMBL29935547

CS(=O)(=O)c1cccc(S(N)(=O)=O)c1-c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.51
NR1I2 O75469 4/20 0.50
RORA P35398 4/20 0.50
NR1H2 P55055 4/20 0.50
NR1H3 Q13133 4/20 0.50
RORB Q92753 4/20 0.50
NR1H4 Q96RI1 4/20 0.50
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 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
SCHEMBL29935349 0.76 RORC (0.52) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29935384 0.76 RORC (0.47) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29935477 0.75 RORC (0.51) RORCNR1I2RORANR1H2NR1H3
SCHEMBL4560780 0.74 RORC (0.61) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29935509 0.74 CYP11B1 (0.49) RORCNR1I2RORANR1H2NR1H3
SCHEMBL10282615 0.72 RORC (0.61) RORCNR1I2RORANR1H2NR1H3
SCHEMBL772020 0.72 RORC (0.61) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29817579 0.72 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL28157213 0.72 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL29817602 0.71 KMT2A (0.83) RORCNR1I2NR1H2NR1H3KMT2A

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
CN-107021923-B Tetrahydroquinoline related bicyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-09-23 CN disclosed