SCHEMBL22760065

SCHEMBL22760065

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
FOLH1 Q04609 2/20 0.44
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
EDNRA P25101 2/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PER2 O15055 2/20 0.38
CRY1 Q16526 2/20 0.38
CRY2 Q49AN0 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22747888 0.86 FOLH1 (0.42) FOLH1GAAGFERSMN1; SMN2EDNRA
SCHEMBL22760442 0.85 EDNRA (0.50) FOLH1GAAGFEREDNRAMAPK8
SCHEMBL22760471 0.85 FOLH1 (0.44) FOLH1GAAGFERSMN1; SMN2EDNRA
SCHEMBL9538849 0.83 KDM4E (0.57) FOLH1SMN1; SMN2EDNRAMEN1KMT2A
SCHEMBL22760121 0.82 FOLH1 (0.39) FOLH1GAASMN1; SMN2MAPK8MAPK9
SCHEMBL22747870 0.82 FOLH1 (0.42) FOLH1EDNRAMAPK8MAPK9
SCHEMBL22747914 0.82 MAPK8 (0.40) FOLH1EDNRAMAPK8MAPK9
SCHEMBL22760346 0.81 FOLH1 (0.45) FOLH1GAAEDNRAMAPK8MAPK9
SCHEMBL22760073 0.81 CENPE (0.39) FOLH1SMN1; SMN2MAPK8MEN1KMT2A
SCHEMBL22748249 0.78 FOLH1 (0.39) FOLH1GAAGFERSMN1; SMN2EDNRA

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed