SCHEMBL28510573

SCHEMBL28510573

CCCCCCOc1ccccc1OCCCCc1nc(N)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.54
▸ NCF1 P14598 2/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ CAMK2B Q13554 1/20 0.45
▸ CAMK2G Q13555 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ TAOK1 Q7L7X3 1/20 0.45
▸ TLR7 Q9NYK1 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL28503550 0.97 TLR8 (0.54) TLR8NCF1MCHR1CSNK1A1CSNK1D
SCHEMBL28906706 0.95 TLR8 (0.54) TLR8NCF1MCHR1CSNK1A1CSNK1D
SCHEMBL28504818 0.90 TLR8 (0.51) TLR8TLR7LMNATSHR
SCHEMBL29377718 0.89 TLR8 (0.58) TLR8TLR7LMNATSHR
SCHEMBL28203089 0.89 TLR8 (0.58) TLR8TLR7LMNATSHR
SCHEMBL22498767 0.89 TLR8 (0.58) TLR8TLR7LMNATSHR
SCHEMBL1458588 0.88 TLR8 (0.57) TLR8TLR7LMNATSHR
SCHEMBL28508187 0.87 TLR8 (0.48) TLR8TLR7LMNATSHR
SCHEMBL28508378 0.80 CYP1A2 (0.52) NCF1TLR7LMNATSHRCYP1A2
SCHEMBL28514142 0.78 LMNA (0.52) TLR8LMNACYP1A2CYP2C9CYP2C19

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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