SCHEMBL20003216

SCHEMBL20003216

[O-][S+](c1ccc(F)cc1)C1(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.61
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRL1 P41146 1/20 0.38
NR1I2 O75469 1/20 0.36

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
SCHEMBL20002809 0.87 RORC (0.65) RORCNR1I2
SCHEMBL20002279 0.85 RORC (0.46) RORCPOLBMEN1KMT2A
SCHEMBL20003086 0.85 RORC (0.49) RORCPOLBGAAOPRL1
SCHEMBL20003056 0.85 RORC (0.49) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20003149 0.84 RORC (0.57) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20002997 0.83 RORC (0.67) RORCNR1I2
SCHEMBL20003148 0.82 RORC (0.46) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20003210 0.80 RORC (0.49) RORCMEN1KMT2A
SCHEMBL20002923 0.77 RORC (0.65) RORC
SCHEMBL16886830 0.76 RORC (1.00) 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