SCHEMBL20003056

SCHEMBL20003056

[O-][S+](c1cccc(Br)c1)C1(c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.49
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL20003086 0.90 RORC (0.49) RORCPOLBGAAKDM4EOPRL1
SCHEMBL20003148 0.86 RORC (0.46) RORCPOLBGAAKDM4EKMT2A
SCHEMBL20003216 0.85 RORC (0.61) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20003135 0.82 RORC (0.38) RORC
SCHEMBL20003149 0.81 RORC (0.57) RORCPOLBGAAKDM4EKMT2A
SCHEMBL20002756 0.76 RORC (0.64) RORC
SCHEMBL20002760 0.76 RORC (0.48) RORCPOLBGAAKDM4EKMT2A
SCHEMBL20002693 0.75 RORC (0.34) RORC
SCHEMBL20002725 0.74 RORC (0.40) RORC
SCHEMBL16875107 0.74 RORC (0.73) RORC

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