SCHEMBL846528

SCHEMBL846528

O=C(Nc1cnc2ccccc2c1)Oc1ccc2c(c1)CCN2C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
LMNA P02545 7/20 0.48
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL846869 0.89 NOTUM (0.50) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL846485 0.85 HSD17B10 (0.43) LMNAMAPTTP53POLBRAB9A
SCHEMBL846565 0.85 SMN1; SMN2 (0.47) LMNAMAPTTP53POLBRAB9A
SCHEMBL846634 0.85 KDR (0.61) KDRLMNAMAPTRAB9AKDM4E
SCHEMBL846407 0.85 NPC1 (0.47) KDRLMNAMAPTTP53POLB
SCHEMBL847501 0.81 KDM4E (0.48) KDRLMNAMAPTTP53POLB
SCHEMBL846566 0.81 HSD17B10 (0.44) LMNATP53POLBRAB9AKDM4E
SCHEMBL846445 0.80 KDM4E (0.48) KDRLMNATP53RAB9AKDM4E
SCHEMBL846954 0.79 TRPV1 (0.45) LMNATP53POLBRAB9AKDM4E
SCHEMBL16494394 0.78 TP53 (0.58) LMNAMAPTTP53RAB9AALDH1A1

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