SCHEMBL21866444

SCHEMBL21866444

Cc1cn(C(O)c2c(Cl)ncc(C(=O)OC(C)(C)C)c2Cl)c2c(C)cc(C(F)(F)F)cc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
RORC P51449 2/20 0.32
NR3C1 P04150 5/20 0.31
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
GABRA4 P48169 2/20 0.31
GABRA6 Q16445 2/20 0.31
XPO1 O14980 1/20 0.31
P2RX3 P56373 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RXRA P19793 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL18298849 0.80 RORC (0.41) JUNNFKB1NFKB2RELARORC
SCHEMBL18299265 0.79 RORC (0.38) JUNNFKB1NFKB2RELARORC
SCHEMBL21866262 0.71 RORC (0.35) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL18299098 0.70 RORC (0.35) RORCLMNAMAPT
SCHEMBL18298943 0.69 RORC (0.43) RORCRXRANR1H2
SCHEMBL18298863 0.68 RORC (0.53) RORC
SCHEMBL21866354 0.67 RORC (0.43) RORC
SCHEMBL18299130 0.67 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18298898 0.66 RORC (0.42) JUNNFKB1NFKB2RELARORC
SCHEMBL18299337 0.66 RORC (0.41) JUNNFKB1NFKB2RELARORC

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