SCHEMBL8551731

SCHEMBL8551731

CCCc1nc(C)sc1Oc1c(C)cc(-c2nnn(C)n2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 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
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KIFC1 Q9BW19 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
SCHEMBL8556858 0.77
SCHEMBL8992126 0.76 NPC1 (0.32) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8552168 0.73 HDAC4 (0.37) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8992087 0.71 NPC1 (0.31) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8557115 0.71 AGTR1 (0.32)
SCHEMBL8824405 0.68 NPC1 (0.34) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL9089930 0.67 NR1I2 (0.35) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8555476 0.67
SCHEMBL8824414 0.67 NR1I2 (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL8551728 0.67 NR1I2 (0.34) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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