SCHEMBL8584348

SCHEMBL8584348

C=C1SCC(=O)N1c1cc(OCC)c(O)c(-c2sccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8709022 0.80 FABP4 (0.34) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8584346 0.78 KMT2A (0.37) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL8581833 0.73 GAA (0.33) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL8933559 0.69 IGF1R (0.45) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8537294 0.68 IGF1R (0.38) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL8307820 0.66 DYRK1A (0.61) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8933462 0.66 FABP4 (0.47) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL8310606 0.65 MAPT (0.56) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL8583284 0.61 PTGS2 (0.31) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL8709018 0.60 KMT2A (0.35) GAAKDM4EMAPTKMT2AMEN1

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
US-5731336-A USING ARYL-SUBSTITUTED RHODAMINES ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed