SCHEMBL28503550

SCHEMBL28503550

CCCCCCOc1ccccc1OCCCc1nc(N)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.54
▸ NCF1 P14598 5/20 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
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 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
SCHEMBL28510573 0.97 TLR8 (0.54) TLR8NCF1MCHR1CSNK1A1CSNK1D
SCHEMBL28906706 0.95 TLR8 (0.54) TLR8NCF1MCHR1CSNK1A1CSNK1D
SCHEMBL28504818 0.87 TLR8 (0.51) TLR8LMNACYP3A4MAPTTLR7
SCHEMBL29377718 0.87 TLR8 (0.58) TLR8LMNACYP3A4MAPTTLR7
SCHEMBL22498767 0.87 TLR8 (0.58) TLR8LMNACYP3A4MAPTTLR7
SCHEMBL28203089 0.87 TLR8 (0.58) TLR8LMNACYP3A4MAPTTLR7
SCHEMBL1458588 0.85 TLR8 (0.57) TLR8LMNATLR7
SCHEMBL28508187 0.85 TLR8 (0.48) TLR8LMNACYP3A4MAPTTLR7
SCHEMBL28503565 0.78 LMNA (0.52) TLR8CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL28514142 0.78 LMNA (0.52) TLR8CYP1A2CYP2C9CYP2C19LMNA

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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