SCHEMBL846903

SCHEMBL846903

CC1CC(C)(C)c2cc(C=CC(=O)Nc3cnc4ccccc4c3)ccc2C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
KDM4E B2RXH2 7/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
OPRK1 P41145 1/20 0.41
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 3/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
TP53 P04637 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
SCHEMBL846902 1.00 NAMPT (0.43) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL846239 0.82 NAMPT (0.47) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL846240 0.82 NAMPT (0.47) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL847499 0.82 MAOB (0.37) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL847498 0.82 MAOB (0.37) KDM4EMAPTLMNAALDH1A1RAB9A
SCHEMBL13991503 0.75 RAB9A (0.65) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL16101601 0.75 KDR (0.60) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL13991500 0.75 KDR (0.60) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL846550 0.73 DHODH (0.53) NAMPTKDM4EMAPTLMNAALDH1A1
SCHEMBL846549 0.73 DHODH (0.53) NAMPTKDM4EMAPTLMNAALDH1A1

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 claimed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed