SCHEMBL28110706

SCHEMBL28110706

NC1(S(=O)(=O)c2ccc(F)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.49
NR1I2 O75469 7/20 0.49
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28111319 0.96 PTGS2 (0.47) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL28111260 0.77 RORC (0.49) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL28343237 0.76 RORC (0.48) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL16877047 0.74 TRPA1 (0.41) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL16880400 0.73 PHGDH (0.51) RORCNR1I2PTGS2
SCHEMBL28110695 0.69 RORC (0.62) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL16880410 0.69 RORC (0.66) RORCNR1I2
SCHEMBL13676623 0.68 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7210268 0.68 MAPK1 (0.53) PTGS2PTGS1SMN1; SMN2
SCHEMBL13822796 0.68 ALDH1A1 (0.56) RORCNR1I2

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-106132931-B Carbocyclic ring sulfone ROR gamma modulators 百时美施贵宝公司 2019-08-02 CN disclosed
CN-106132931-A Carbocyclic ring sulfone ROR gamma modulators 百时美施贵宝公司 2016-11-16 CN disclosed