SCHEMBL28508187

SCHEMBL28508187

CCCCOCCCCCCc1nc(N)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 14/20 0.48
▸ TLR7 Q9NYK1 6/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL28504818 0.97 TLR8 (0.51) TLR8TLR7LMNATSHRKDM4E
SCHEMBL22498767 0.89 TLR8 (0.58) TLR8TLR7LMNATSHRKDM4E
SCHEMBL28203089 0.89 TLR8 (0.58) TLR8TLR7LMNATSHRKDM4E
SCHEMBL29377718 0.89 TLR8 (0.58) TLR8TLR7LMNATSHRKDM4E
SCHEMBL1458588 0.87 TLR8 (0.57) TLR8TLR7LMNATSHR
SCHEMBL28510573 0.87 TLR8 (0.54) TLR8TLR7LMNATSHR
SCHEMBL28503550 0.85 TLR8 (0.54) TLR8TLR7LMNACYP3A4MAPT
SCHEMBL28508378 0.82 CYP1A2 (0.52) TLR7LMNATSHRKDM4EALDH1A1
SCHEMBL28906706 0.82 TLR8 (0.54) TLR8TLR7LMNACYP3A4MAPT
SCHEMBL28229720 0.80 KDM4E (0.55) TLR8TLR7KDM4EALDH1A1GAA

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-108250142-B Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity 维尔斯达医疗公司 2021-01-26 — — CN disclosed
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