SCHEMBL846566

SCHEMBL846566

CCCN1CCc2cc(OC(=O)Nc3cnc4ccccc4c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
RAB9A P51151 4/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 7/20 0.43
NOTUM Q6P988 1/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL846954 0.94 TRPV1 (0.45) HSD17B10RAB9ATSHRLMNAPOLB
SCHEMBL846419 0.89 ACHE (0.47) HSD17B10RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL846407 0.88 NPC1 (0.47) HSD17B10RAB9ATSHRLMNAPOLB
SCHEMBL846485 0.86 HSD17B10 (0.43) HSD17B10RAB9ATSHRLMNAPOLB
SCHEMBL846869 0.84 NOTUM (0.50) HSD17B10RAB9ATSHRKDM4ENPC1
SCHEMBL846669 0.84 TRPV1 (0.58) RAB9AKDM4ENPC1SMN1; SMN2TRPV1
SCHEMBL847501 0.84 KDM4E (0.48) HSD17B10RAB9ATSHRLMNAPOLB
SCHEMBL845886 0.81 MEN1 (0.52) HSD17B10RAB9ATSHRLMNAPOLB
SCHEMBL846528 0.81 KDR (0.48) HSD17B10RAB9ALMNAPOLBKDM4E
SCHEMBL846445 0.79 KDM4E (0.48) HSD17B10RAB9ALMNAKDM4ENPC1

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