SCHEMBL20003236

SCHEMBL20003236

Cc1ccc(S(=O)(=O)C2CCN(C(=O)C34CCC(C)(CC3)CC4)C2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.45
MAPT P10636 1/20 0.36
HSD11B1 P28845 3/20 0.36
HPGD P15428 1/20 0.35
NAMPT P43490 1/20 0.34
SPR P35270 2/20 0.34

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
SCHEMBL20003180 0.83 RORC (0.54) RORC
SCHEMBL20002703 0.78 ALDH1A1 (0.46) RORCHSD11B1
SCHEMBL20002822 0.73 RORC (0.58) RORC
SCHEMBL20002497 0.71 RORC (0.44) RORC
SCHEMBL11995531 0.71 TDP1 (0.40) MAPTHSD11B1
SCHEMBL20002828 0.71 RORC (0.54) RORC
SCHEMBL18711258 0.70 MEN1 (0.50) RORCNAMPTSPR
SCHEMBL20002406 0.70 RORC (0.42) RORCMAPTNAMPT
SCHEMBL20002927 0.69 ALDH1A1 (0.46) RORCHSD11B1
SCHEMBL20003055 0.68 RORC (0.42) RORCMAPTHSD11B1

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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed