SCHEMBL20002914

SCHEMBL20002914

Fc1ccc(SCc2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.41
NR1I2 O75469 1/20 0.40

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
SCHEMBL20002840 0.81 RORC (0.52) RORCNR1I2
SCHEMBL16875512 0.77 RORC (0.54) RORCNR1I2
SCHEMBL16875580 0.75 MLYCD (0.40) RORC
SCHEMBL20149073 0.72 RORC (0.53) RORCNR1I2
SCHEMBL20002919 0.72 RORC (0.56) RORC
SCHEMBL19388079 0.71 RORC (0.60) RORCNR1I2
SCHEMBL20002861 0.71 RORC (0.50) RORCNR1I2
SCHEMBL20149076 0.70 RORC (0.42) RORCNR1I2
SCHEMBL16875294 0.70 RORC (0.76) RORCNR1I2
SCHEMBL20139671 0.70 RORC (0.49) 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
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed