SCHEMBL5213952

SCHEMBL5213952

Cc1ccc(C(=O)O)c(NC(=O)Cc2c[nH]c3ccc(-c4ccc5c(c4)OCO5)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.47
HTT P42858 2/20 0.46
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.42
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL5206707 0.85 ICMT (0.53) ICMTLMNAALDH1A1SMN1; SMN2CNR2
SCHEMBL5207800 0.81 ICMT (0.51) ICMTTP53LMNAKDM4ECNR2
SCHEMBL5209045 0.81 CDK2 (0.49) ICMTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL5210504 0.81 TSHR (0.56) ICMTKDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL5211211 0.80 HTR1D (0.48) ICMTLMNAALDH1A1SMN1; SMN2CNR2
SCHEMBL5208637 0.80 ICMT (0.49) ICMTTP53ALDH1A1SMN1; SMN2CNR2
SCHEMBL5210851 0.79 MAPT (0.60) HTTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL5207887 0.79 KDM4E (0.60) TP53KDM4EALDH1A1MEN1KMT2A
SCHEMBL5213599 0.79 ICMT (0.61) ICMTLMNAKDM4EALDH1A1CNR2
SCHEMBL23701730 0.78 TSHR (0.57) ICMTHTTLMNAKDM4EALDH1A1

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-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 EP disclosed