SCHEMBL8558634

SCHEMBL8558634

CCCc1nc(CC)n(C)c1Oc1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 9/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
MGLL Q99685 2/20 0.35
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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 0.82
SCHEMBL19771902 0.70 KMT2A (0.47) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8220320 0.69 SMN1; SMN2 (0.60) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9090697 0.68 NPC1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8558630 0.67 NPC1 (0.45) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL5192240 0.67 LTA4H (0.64) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13846211 0.67 KMT2A (0.60) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12896173 0.63 NPC1 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8551731 0.63 SMN1; SMN2 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13846113 0.62 NPC1 (0.52) 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