SCHEMBL21866262

SCHEMBL21866262

Cc1cc(C(F)(F)F)cc2c1cc(C(O)c1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.35
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL21866529 0.86 RORC (0.36) RORC
SCHEMBL18299098 0.84 RORC (0.35) RORCLMNAMAPT
SCHEMBL21866047 0.82
SCHEMBL21865969 0.78 MAPT (0.39) RORCMAPT
SCHEMBL18308411 0.77 MEN1 (0.38) RORCMAPT
SCHEMBL18307409 0.74 NOD2 (0.37) RORCLMNAMAPT
SCHEMBL18299984 0.74 RORC (0.39) RORC
SCHEMBL21867044 0.74 RORC (0.39) RORC
SCHEMBL28902610 0.73 RORC (0.37) RORCLMNAMAPT
SCHEMBL21866444 0.71 JUN (0.32) RORCLMNAMAPTGABRA1GABRG2

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-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed