SCHEMBL29935406

SCHEMBL29935406

CS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.83
NR1I2 O75469 4/20 0.72
RORA P35398 4/20 0.72
NR1H2 P55055 4/20 0.72
NR1H3 Q13133 4/20 0.72
RORB Q92753 4/20 0.72
NR1H4 Q96RI1 4/20 0.72
CPT2 P23786 1/20 0.61
CPT1A P50416 1/20 0.61
CPT1B Q92523 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL28843031 1.00 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023200 0.88 RORC (0.84) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5022112 0.88 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628988 0.86 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628996 0.84 RORC (0.86) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023206 0.84 RORC (1.00) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628911 0.84 RORC (0.80) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5021848 0.83 RORC (0.87) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023460 0.83 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL18359198 0.83 RORC (0.83) RORCNR1I2RORANR1H2NR1H3

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