SCHEMBL29894237

SCHEMBL29894237

C=Cc1cccc(-c2ccc3c(c2)OCCO3)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.64
PDCD1 Q15116 10/20 0.64
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ADORA1 P30542 1/20 0.42
BCL2L1 Q07817 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL18863767 1.00 CD274 (0.64) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL18863838 0.86 CD274 (0.64) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL18727806 0.81 CD274 (0.67) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL18979829 0.81 CD274 (0.67) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL31644196 0.81 CD274 (0.67) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL18792069 0.81 CD274 (0.67) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL20999484 0.80 CD274 (0.48) CD274PDCD1MAPTKDM4ENPC1
SCHEMBL17161578 0.77 CD274 (0.79) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL19731928 0.77 CD274 (0.63) CD274PDCD1MAPTHSD17B10ALOX15
SCHEMBL20356610 0.75 CD274 (0.64) CD274PDCD1MAPTHSD17B10ALOX15

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
CN-109641885-B Heterocyclic compounds as immunomodulators 因赛特公司 2022-09-30 CN disclosed