SCHEMBL846445

SCHEMBL846445

O=C(Nc1cnc2ccccc2c1)Oc1ccc2c(c1)CCN2C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 4/20 0.45
FAAH O00519 3/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
USP30 Q70CQ3 1/20 0.41
EPHX2 P34913 1/20 0.40
KDR P35968 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.39

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
SCHEMBL846565 0.87 SMN1; SMN2 (0.47) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL845800 0.84 TRPV1 (0.59) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL846002 0.83 ACHE (0.45) KDM4EFAAH
SCHEMBL846407 0.83 NPC1 (0.47) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL846869 0.81 NOTUM (0.50) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL847501 0.81 KDM4E (0.48) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL846653 0.81 KDM4E (0.46) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL845811 0.81 MEN1 (0.49) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL846654 0.81 KDM4E (0.46) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL846528 0.80 KDR (0.48) KDM4ENPC1SMN1; SMN2HSD17B10TP53

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