SCHEMBL8556589

SCHEMBL8556589

Cc1cc(-c2nnn(C)n2)cc(C)c1[O]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARA Q07869 1/20 0.33
FFAR1 O14842 1/20 0.33
ACLY P53396 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL22911187 0.85 RAB9A (0.36) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL15261817 0.81 RAB9A (0.35) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL20119103 0.81 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8553788 0.81 CA1 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2644715 0.77 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL30123049 0.76 TRPM8 (0.40) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6609423 0.74 TRPV1 (0.42) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8215849 0.73 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8211754 0.73 TRPM8 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6609492 0.71 ACLY (0.49) SMN1; SMN2TP53ACLY

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 3 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-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed