SCHEMBL846400

SCHEMBL846400

O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
KDR P35968 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
TRPV1 Q8NER1 1/20 0.47
SLC22A12 Q96S37 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
GRM4 Q14833 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
SCHEMBL846401 1.00 NAMPT (0.51) NAMPTKDRHDAC1HDAC8HDAC6
SCHEMBL846549 0.87 DHODH (0.53) NAMPTKDRKDM4EALDH1A1GAA
SCHEMBL846550 0.87 DHODH (0.53) NAMPTKDRKDM4EALDH1A1GAA
SCHEMBL846432 0.84 MAOB (0.59) KDRHDAC1HDAC8HDAC6KDM4E
SCHEMBL846433 0.84 MAOB (0.59) KDRHDAC1HDAC8HDAC6KDM4E
SCHEMBL846050 0.82 MEN1 (0.65) NAMPTKDM4EALDH1A1GAALMNA
SCHEMBL846051 0.82 MEN1 (0.65) NAMPTKDM4EALDH1A1GAALMNA
SCHEMBL16101601 0.80 KDR (0.60) NAMPTKDRHDAC1HDAC8HDAC6
SCHEMBL13991500 0.80 KDR (0.60) NAMPTKDRHDAC1HDAC8HDAC6
SCHEMBL13991503 0.78 RAB9A (0.65) NAMPTKDRKDM4EALDH1A1GAA

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 2 patents. 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 disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed