SCHEMBL29935384

SCHEMBL29935384

NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.47
NR1I2 O75469 4/20 0.44
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
RORA P35398 3/20 0.44
RORB Q92753 3/20 0.44
NR1H4 Q96RI1 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4560338 0.85 RORC (0.58) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29817604 0.85 RORC (0.58) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29935349 0.84 RORC (0.52) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29935509 0.82 CYP11B1 (0.49) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29935477 0.78 RORC (0.51) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29935547 0.76 RORC (0.51) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL28846438 0.75 RORC (0.78) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL29817686 0.75 RORC (0.78) RORCNR1I2NR1H2NR1H3RORA
SCHEMBL4561216 0.74 KMT2A (0.56) CYP11B1CYP11B2KMT2AMEN1LMNA
SCHEMBL4560780 0.73 RORC (0.61) RORCNR1I2NR1H2NR1H3RORA

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