SCHEMBL8553807

SCHEMBL8553807

CCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.35
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
EPHX2 P34913 1/20 0.30

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
SCHEMBL8553777 0.75 SMN1; SMN2 (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8558789 0.74 HDAC4 (0.35) CTSA
SCHEMBL8553801 0.73 NR1I2 (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8557108 0.73 L3MBTL1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661861 0.72 SMN1; SMN2 (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8604571 0.70 PPARG (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL8553886 0.70 PPARG (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL8551725 0.69
SCHEMBL8553780 0.66 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555548 0.66 LMNA (0.40) NPC1NFKB1RAB9ANFKB2RELA

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
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed