SCHEMBL7961879

SCHEMBL7961879

COc1nccnc1N/N=C/c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
RAB9A P51151 6/20 0.53
HTT P42858 6/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 4/20 0.53
MITF O75030 2/20 0.53
KDM4E B2RXH2 10/20 0.49
MAPT P10636 10/20 0.49
PKM P14618 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
KLF5 Q13887 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
USP2 O75604 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
GAA P10253 6/20 0.45

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
SCHEMBL7961882 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7963833 0.83 KMT2A (0.50) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7963832 0.83 KMT2A (0.50) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7962045 0.77 ERN1 (0.52) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7962047 0.77 ERN1 (0.52) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7960932 0.76 MAPT (0.52) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7960927 0.76 MAPT (0.52) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7965465 0.76 MAPT (0.58) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7965463 0.76 MAPT (0.58) SMN1; SMN2RAB9AHTTALDH1A1NPC1
SCHEMBL7961929 0.75 KMT2A (0.67) SMN1; SMN2RAB9AHTTALDH1A1NPC1

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-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US claimed
US-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US disclosed