SCHEMBL28823988

SCHEMBL28823988

CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc32)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.65
KMT2A Q03164 1/20 0.58
NLRP3 Q96P20 6/20 0.57
MAPT P10636 7/20 0.56
TP53 P04637 7/20 0.56
POLB P06746 1/20 0.56
EIF2AK2 P19525 1/20 0.56
LMNA P02545 4/20 0.55
NR1I2 O75469 1/20 0.52
RORA P35398 1/20 0.52
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
RORB Q92753 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL28157213 0.90 RORC (0.80) RORCNLRP3MAPTTP53POLB
SCHEMBL29817579 0.90 RORC (0.80) RORCNLRP3MAPTTP53POLB
SCHEMBL29817838 0.85 RORC (0.63) RORCNLRP3MAPTTP53EIF2AK2
SCHEMBL28156664 0.85 RORC (0.63) RORCNLRP3MAPTTP53EIF2AK2
SCHEMBL28823959 0.81 RORC (0.63) RORCKMT2ANLRP3MAPTTP53
SCHEMBL28843057 0.79 RORC (0.55) RORCKMT2ANLRP3MAPTTP53
SCHEMBL28157188 0.78 RORC (0.79) RORCNLRP3MAPTTP53LMNA
SCHEMBL29817724 0.78 RORC (0.79) RORCNLRP3MAPTTP53LMNA
SCHEMBL28843232 0.78 RORC (0.55) RORCKMT2ANLRP3MAPTTP53
SCHEMBL29817691 0.77 RORC (0.80) RORCMAPTTP53LMNANR1I2

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-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
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