SCHEMBL22955413

SCHEMBL22955413

Cc1cccc2c(C(=O)c3c[nH]c4ccc(Cl)cc34)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
NR4A2 P43354 1/20 0.54
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48
GABRA6 Q16445 3/20 0.48
GABRG1 Q8N1C3 3/20 0.48
GABRG3 Q99928 3/20 0.48
GABRQ Q9UN88 3/20 0.48
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL29808478 0.84 F7 (0.60) F7F3NR4A2GABRPGABRD
SCHEMBL22955668 0.83 F7 (0.58) F7F3NR4A2GABRPGABRD
SCHEMBL22955590 0.80 F7 (0.61) F7F3NR4A2GABRPGABRD
SCHEMBL22955670 0.76 F7 (0.69) F7F3NR4A2GABRPGABRD
SCHEMBL2980996 0.76 F7 (0.63) F7F3NR4A2NHERF1PYGL
SCHEMBL22955669 0.75 F7 (0.71) F7F3NR4A2GABRPGABRD
SCHEMBL5912617 0.74 F7 (0.75) F7F3NR4A2GABRPGABRD
SCHEMBL1434913 0.74 F7 (1.00) F7F3NR4A2GABRPGABRD
SCHEMBL22955917 0.74 GPR84 (0.54) F7F3NR4A2GABRPGABRD
SCHEMBL22955418 0.73 GPR84 (0.47) GPR84

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
WO-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed