SCHEMBL22295286

SCHEMBL22295286

CNNC(=O)C(OC)c1ccc(F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR2 O15552 1/20 0.34
RECQL P46063 1/20 0.34
GRM5 P41594 1/20 0.33
GABRA5 P31644 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
PDE4D Q08499 1/20 0.32
CXCR2 P25025 2/20 0.32
ROCK2 O75116 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL24327747 0.80 APLNR (0.44) APLNRKDM4EALDH1A1GAAMEN1
SCHEMBL24328889 0.80 APLNR (0.44) APLNRKDM4EALDH1A1GAAMEN1
SCHEMBL22295326 0.73 MET (0.34) ALDH1A1NPC1RAB9A
SCHEMBL25581873 0.73 APLNR (0.49) APLNRGRM5JAK2
SCHEMBL15709789 0.72 APLNR (0.45) APLNRALDH1A1GAAMEN1KMT2A
SCHEMBL4023868 0.71 APLNR (0.48) APLNRALDH1A1GAAMEN1KMT2A
SCHEMBL23578743 0.71 APLNR (0.44) APLNRGAAMEN1KMT2AFFAR2
SCHEMBL20392511 0.68 APLNR (0.41) APLNRGAAMEN1KMT2AFFAR2
SCHEMBL18558695 0.68 APLNR (0.50) APLNRFFAR2JAK2JAK1NPC1
SCHEMBL4023229 0.68 APLNR (0.41) APLNRALDH1A1GRM5

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-3689866-A1 QUINOLINE COMPOUND, AND BACTERICIDAL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2020-08-05 EP disclosed