SCHEMBL29935333

SCHEMBL29935333

NS(=O)(=O)c1sccc1-c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.57
CYP11B2 P19099 7/20 0.57
RORC P51449 3/20 0.53
NR1I2 O75469 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
MCL1 Q07820 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 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
SCHEMBL29935477 0.92 RORC (0.51) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL29935740 0.79 NR1H3 (0.46) RORCNR1H2NR1H3KMT2AMEN1
SCHEMBL18392354 0.72 MCL1 (0.76) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL15625537 0.72 CYP11B1 (0.60) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL29935552 0.72 RORC (0.55) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL28843138 0.72 RORC (0.55) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL29817602 0.71 KMT2A (0.83) RORCNR1I2NR1H2NR1H3LMNA
SCHEMBL28846436 0.71 KMT2A (0.83) RORCNR1I2NR1H2NR1H3LMNA
SCHEMBL29935349 0.71 RORC (0.52) CYP11B1CYP11B2RORCNR1I2NR1H2
SCHEMBL28843212 0.70 RORC (0.53) CYP11B1CYP11B2RORCNR1I2NR1H2

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