SCHEMBL22747832

SCHEMBL22747832

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.40
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PPARG P37231 2/20 0.34
EGFR P00533 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
BCHE P06276 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
SCHEMBL22747858 0.85 FOLH1 (0.40) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22747865 0.84 FOLH1 (0.35) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22747868 0.82 FOLH1 (0.35) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22760070 0.82 FOLH1 (0.35) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22760364 0.80 FOLH1 (0.37) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22760117 0.79 FOLH1 (0.36) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22747829 0.77 FOLH1 (0.35) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22760085 0.77 EDNRA (0.37) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22748249 0.77 FOLH1 (0.39) FOLH1LMNATSHRALDH1A1GAA
SCHEMBL22760471 0.77 FOLH1 (0.44) FOLH1LMNAALDH1A1GAAMAPT

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 3 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
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