SCHEMBL28823959

SCHEMBL28823959

O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.63
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.53
NLRP3 Q96P20 5/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
EIF2AK2 P19525 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL28157206 0.85 TSHR (0.57) RORCTSHRKMT2ANLRP3EIF2AK2
SCHEMBL29817649 0.85 TSHR (0.57) RORCTSHRKMT2ANLRP3EIF2AK2
SCHEMBL28156618 0.85 RORC (0.73) RORCKMT2AMAPTTP53MEN1
SCHEMBL29817762 0.85 RORC (0.73) RORCKMT2AMAPTTP53MEN1
SCHEMBL28156624 0.84 RORC (0.62) RORCTSHRKMT2ANLRP3MAPT
SCHEMBL29817839 0.84 RORC (0.62) RORCTSHRKMT2ANLRP3MAPT
SCHEMBL28823988 0.81 RORC (0.65) RORCKMT2ANLRP3MAPTTP53
SCHEMBL29817735 0.80 RORC (0.57) RORCTSHRKMT2ANLRP3EIF2AK2
SCHEMBL28823950 0.80 RORC (0.57) RORCTSHRKMT2ANLRP3EIF2AK2
SCHEMBL29817656 0.80 RORC (0.57) RORCTSHRKMT2ANLRP3EIF2AK2

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