SCHEMBL7076243

SCHEMBL7076243

CN(C)CCCOc1cccc(-c2sccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48
ESR1 P03372 2/20 0.47
LSS P48449 1/20 0.47
CHEK2 O96017 1/20 0.45
BCL2 P10415 2/20 0.44
DHODH Q02127 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL7075963 0.96 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7131687 0.94 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1776033 0.89 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7076016 0.88 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7136554 0.85 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL14002943 0.83 LSS (0.48) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7076583 0.82 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7131362 0.81 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7078258 0.78 DHODH (0.54) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL7225276 0.78 RXRA (0.67) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A

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
WO-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed