SCHEMBL848239

SCHEMBL848239

O=C(Nc1cnc2ccccc2c1)Oc1ccc2c(ccn2C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
TRPV1 Q8NER1 5/20 0.46
ALDH1A1 P00352 4/20 0.44
FAAH O00519 1/20 0.42
EPHX1 P07099 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
KDR P35968 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
MITF O75030 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
SCHEMBL846901 0.84 TRPV1 (0.61) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL846996 0.83 KDM4E (0.42) RAB9ANPC1KDM4ESMN1; SMN2TP53
SCHEMBL846098 0.82 KDM4C (0.41) RAB9ANPC1KDM4ETP53ALDH1A1
SCHEMBL846808 0.82 KDM4E (0.45) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL846809 0.82 KDM4E (0.45) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL846445 0.78 KDM4E (0.48) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL846663 0.75 TRPV1 (0.48) RAB9AHSD17B10TRPV1TSHRPOLB
SCHEMBL846565 0.74 SMN1; SMN2 (0.47) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL859840 0.74 NPC1 (0.50) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4108874 0.74 KDR (0.63) RAB9ANPC1KDM4EHSD17B10SMN1; SMN2

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