SCHEMBL847681

SCHEMBL847681

O=C(Nc1ccnc2ccccc12)c1ccc(NCC(=O)C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.55
DNMT3A Q9Y6K1 4/20 0.55
DNMT3L Q9UJW3 1/20 0.55
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 2/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.49
ACHE P22303 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MEN1 O00255 2/20 0.47
PABPC1 P11940 2/20 0.47
KMT2A Q03164 2/20 0.47
EIF4H Q15056 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL847682 0.80 S1PR1 (0.55) DNMT1DNMT3ADNMT3LS1PR1S1PR3
SCHEMBL846053 0.78 TRPV1 (0.70) SMN1; SMN2TRPV1
SCHEMBL12240483 0.72 DNMT1 (0.71) DNMT1DNMT3ADNMT3LS1PR1S1PR3
SCHEMBL846205 0.71 TRPV1 (0.45) DNMT1DNMT3ADNMT3LS1PR1MEN1
SCHEMBL13140149 0.69 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC6HDAC3
SCHEMBL12217951 0.69 DNMT1 (0.95) DNMT1DNMT3ADNMT3LHDAC6HDAC3
SCHEMBL4935713 0.69 TRPV1 (0.48) HDAC6MEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL1749861 0.69 SRD5A2 (0.49) KMT2ASMN1; SMN2PTPN1
SCHEMBL6911011 0.68 MEN1 (0.59) HDAC6HDAC3HDAC1HDAC2MEN1
SCHEMBL28238219 0.68 DNMT1 (0.78) DNMT1DNMT3ADNMT3LHDAC6HDAC3

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed