SCHEMBL846660

SCHEMBL846660

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cnc3ccccc3c2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 2/20 0.56
TRPV1 Q8NER1 7/20 0.55
TNIK Q9UKE5 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HDAC1 Q13547 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.44
MAOB P27338 1/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 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
SCHEMBL846661 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL846919 0.90 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL846918 0.90 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL846755 0.88 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL846459 0.88 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL847633 0.82 MEN1 (0.62) NPC1RAB9ASMN1; SMN2TRPV1MEN1
SCHEMBL13675666 0.80 MEN1 (0.67) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL846229 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL846230 0.79 MAPT (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL846792 0.78 MMP1 (0.42) NPC1RAB9ASMN1; SMN2LMNAMAPT

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