SCHEMBL16799889

SCHEMBL16799889

CNS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.56
MLYCD O95822 2/20 0.52
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RORA P35398 4/20 0.48
NR1H2 P55055 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
NR1H3 Q13133 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL18151717 0.80 RORC (0.77) RORCMLYCDRORA
SCHEMBL18151833 0.79 RORC (0.61) RORCMLYCDRORANR1H2NR1H3
SCHEMBL16799918 0.73 MAPT (0.44) RORCKCNJ5KCNJ3SMN1; SMN2GAA
SCHEMBL6922110 0.73 RORC (0.64) RORCMLYCDSMN1; SMN2RORANR1H2
SCHEMBL17114558 0.72 RORC (0.80) RORCMLYCDSMN1; SMN2RORA
SCHEMBL16799660 0.72 RORC (0.43) RORCKCNJ5KCNJ3SMN1; SMN2GAA
SCHEMBL17114492 0.71 RORC (1.00) RORCRORA
SCHEMBL17114529 0.71 RORC (0.74) RORCMLYCDSMN1; SMN2RORA
SCHEMBL18151719 0.71 RORC (0.77) RORCRORA
SCHEMBL11463482 0.71 SMN1; SMN2 (0.71) RORCMLYCDSMN1; SMN2RORA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 EP claimed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 WO claimed