SCHEMBL7314668

SCHEMBL7314668

CCCCCCCCCCn1cc(-c2nnc(-c3ccc(C(=O)OC)cc3)o2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.48
POLB P06746 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
MAPT P10636 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MGLL Q99685 1/20 0.39
EP300 Q09472 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7323285 0.88 NPC1 (0.49) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL7334034 0.88 TLR8 (0.55) TLR8SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7326808 0.83 TLR8 (0.48) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8090537 0.82 HDAC3 (0.48) SMN1; SMN2MAPTNPC1RAB9AHSD17B10
SCHEMBL7315645 0.80 L3MBTL1 (0.53) TLR8SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL7320147 0.79 TLR8 (0.50) TLR8POLBSMN1; SMN2MAPTKDM4E
SCHEMBL7340342 0.78 NPC1 (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7332034 0.78 NPC1 (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7316044 0.77 RARB (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7319130 0.77 RARB (0.59) POLBSMN1; SMN2MAPTNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed