SCHEMBL22760140

SCHEMBL22760140

CCN(CC)c1c(C(=O)O)n(-c2cccc(Cl)c2)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
FOLH1 Q04609 2/20 0.41
MAT2A P31153 3/20 0.38
PRMT5 O14744 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK8 P45983 3/20 0.37
PKM P14618 1/20 0.36
MAPK9 P45984 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL22760346 0.92 FOLH1 (0.45) FOLH1MAT2APRMT5CYP1A2MAPK8
SCHEMBL22747867 0.91 MAPK8 (0.40) NOTUMFOLH1MAT2APRMT5CYP1A2
SCHEMBL22747838 0.89 NOTUM (0.42) NOTUMFOLH1MAPK8TSHRMEN1
SCHEMBL22760373 0.85 FOLH1 (0.36) NOTUMFOLH1MAT2APRMT5CYP1A2
SCHEMBL22760375 0.85 NOTUM (0.37) NOTUMFOLH1CYP1A2LMNATSHR
SCHEMBL22760073 0.84 CENPE (0.39) NOTUMFOLH1MAT2AMAPK8MEN1
SCHEMBL22760319 0.83 MAT2A (0.51) MAT2APRMT5CYP1A2MAPK8MAPK9
SCHEMBL22760374 0.83 HTT (0.33) NOTUMFOLH1
SCHEMBL22760442 0.83 EDNRA (0.50) FOLH1MAT2APRMT5CYP1A2MAPK8
SCHEMBL22747849 0.83 FOLH1 (0.39) FOLH1MAT2APRMT5CYP1A2MAPK8

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