SCHEMBL19129012

SCHEMBL19129012

O=S(=O)(c1ccccc1)C1(c2ccc(I)cc2)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.63
PSEN2 P49810 3/20 0.63
APH1B Q8WW43 3/20 0.63
NCSTN Q92542 3/20 0.63
APH1A Q96BI3 3/20 0.63
PSENEN Q9NZ42 3/20 0.63
RORC P51449 16/20 0.58
GAA P10253 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
NR1I2 O75469 7/20 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
SCHEMBL19129009 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19129019 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16880410 0.83 RORC (0.66) RORCNR1I2
SCHEMBL19128925 0.78 RORC (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19129007 0.76 RORC (0.97) RORCNR1I2
SCHEMBL16880335 0.75 RORC (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22662799 0.74 RORC (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22662775 0.74 RORC (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16891685 0.74 RORC (1.00) RORCNR1I2
SCHEMBL19129018 0.72 RORC (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708253-B2 Cyclohexyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed