SCHEMBL28823931

SCHEMBL28823931

O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)Cc1ccc(F)cc1)CCC2)c1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.61
NLRP3 Q96P20 6/20 0.51
LMNA P02545 4/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
EIF2AK2 P19525 1/20 0.49
NR1I2 O75469 1/20 0.48
RORA P35398 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
RORB Q92753 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28823964 0.91 RORC (0.50) RORCNLRP3LMNATP53MAPT
SCHEMBL28843232 0.90 RORC (0.55) RORCNLRP3LMNATP53MAPT
SCHEMBL29817614 0.85 NLRP3 (0.57) RORCNLRP3LMNATP53MAPT
SCHEMBL28157218 0.85 NLRP3 (0.57) RORCNLRP3LMNATP53MAPT
SCHEMBL29817690 0.80 NLRP3 (0.56) RORCNLRP3LMNATP53MAPT
SCHEMBL28157201 0.80 NLRP3 (0.56) RORCNLRP3LMNATP53MAPT
SCHEMBL29817633 0.79 NLRP3 (0.52) RORCNLRP3LMNATP53MAPT
SCHEMBL28156627 0.79 NLRP3 (0.52) RORCNLRP3LMNATP53MAPT
SCHEMBL28843128 0.78 RORC (0.49) RORCNLRP3LMNATP53MAPT
SCHEMBL29757568 0.78 NLRP3 (0.76) RORCNLRP3LMNATP53MAPT

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-114790169-A Tetrahydroquinoline related bicyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2022-07-26 CN disclosed