SCHEMBL22760117

SCHEMBL22760117

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2ccc(F)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
EDNRA P25101 2/20 0.34
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
EGFR P00533 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 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
SCHEMBL22760451 0.91 LMNA (0.34) FOLH1LMNATSHRMAPTGAA
SCHEMBL22748263 0.89 MAPK8 (0.40) MAPTGAAALDH1A1SMN1; SMN2TP53
SCHEMBL22747868 0.88 FOLH1 (0.35) FOLH1LMNATSHRMAPTGAA
SCHEMBL22747829 0.88 FOLH1 (0.35) FOLH1LMNATSHRMAPTGAA
SCHEMBL22760085 0.88 EDNRA (0.37) FOLH1LMNATSHRMAPTGAA
SCHEMBL22747883 0.88 MAPT (0.50) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL22760364 0.81 FOLH1 (0.37) FOLH1LMNATSHRMAPTGAA
SCHEMBL22760414 0.81 EGFR (0.33) MAPTGAAEGFRMEN1KMT2A
SCHEMBL22747858 0.79 FOLH1 (0.40) FOLH1LMNATSHRMAPTGAA
SCHEMBL22747888 0.79 FOLH1 (0.42) FOLH1LMNATSHRMAPTGAA

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