SCHEMBL9537683

SCHEMBL9537683

CCOC(=O)c1c(OC)c2cc(OC)ccc2n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
TP53 P04637 6/20 0.60
THRB P10828 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.56
ELANE P08246 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
EDNRA P25101 1/20 0.48

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
SCHEMBL10758715 0.88 KDM4E (0.58) MAPTSMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL10761647 0.85 KDM4E (0.64) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL9534868 0.85 MEN1 (0.54) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL9146455 0.82 MEN1 (0.58) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL9143441 0.81 MEN1 (0.54) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL10652966 0.79 KDM4E (0.51) MAPTTP53KDM4EHTTALDH1A1
SCHEMBL9536907 0.79 KDM4E (0.54) MAPTTP53SMN1; SMN2KDM4EHTT
SCHEMBL9538371 0.78 MAPK8 (0.48) MAPTKDM4EHTTKMT2AMEN1
SCHEMBL9538611 0.78 MAPK8 (0.48) MAPTKDM4EHTTKMT2AMEN1
SCHEMBL9534704 0.78 KDM4E (0.53) MAPTTP53SMN1; SMN2KDM4EHTT

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-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed