SCHEMBL8668162

SCHEMBL8668162

CCCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)N1CCc2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MTNR1A P48039 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8557108 0.69 L3MBTL1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL24897459 0.68 MTNR1A (0.42) MTNR1A
SCHEMBL8924461 0.67 NPC1 (0.33) KDM2BKDM4CUSP2ALDH1A1NPC1
SCHEMBL8665033 0.67 KDM4E (0.30) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL8553777 0.67 SMN1; SMN2 (0.33) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL8668170 0.66 NPC1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8592723 0.65
SCHEMBL8553886 0.65 PPARG (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8661861 0.64 SMN1; SMN2 (0.32) ALDH1A1NPC1NFKB1RAB9ANFKB2
SCHEMBL12048949 0.64 MTNR1A (0.43) MTNR1A

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
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed