SCHEMBL30207906

SCHEMBL30207906

CC1CN(C(=O)OC(C)(C)C)C(=O)c2c(OCc3ccccc3)cc(Br)c(F)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
S1PR5 Q9H228 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GHSR Q92847 5/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
YAP1 P46937 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
KDM1A O60341 6/20 0.34

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
SCHEMBL19667164 1.00 TLR9 (0.38) TLR9TLR7S1PR5HTR2AHTR2C
SCHEMBL29118100 0.89 S1PR5 (0.39) S1PR5HTR2AHTR2CKDM1A
SCHEMBL30207816 0.86 KDM1A (0.41) TLR9TLR7S1PR5CCNT1CCNA2
SCHEMBL19667181 0.86 KDM1A (0.41) TLR9TLR7S1PR5CCNT1CCNA2
SCHEMBL19667239 0.82 BUB1 (0.40) TLR9TLR7GHSRCCNT1CCNA2
SCHEMBL19667638 0.81 TLR9 (0.41) TLR9TLR7S1PR5CCNT1CCNA2
SCHEMBL30207830 0.81 TLR9 (0.41) TLR9TLR7S1PR5CCNT1CCNA2
SCHEMBL19667163 0.75 S1PR5 (0.36) S1PR5KDM1A
SCHEMBL22279021 0.75 BUB1 (0.40) TLR9TLR7GHSRYAP1
SCHEMBL21000093 0.74 ADH1A (0.45) TLR9TLR7S1PR5GHSRYAP1

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-109890797-B Substituted carbon nucleoside derivatives useful as anticancer agents 辉瑞公司 2023-02-28 CN disclosed