SCHEMBL28997402

SCHEMBL28997402

CCCCc1nc2cccc(CCCC)c2c(CCCC)c1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
PRKCD Q05655 1/20 0.40
PAK1 Q13153 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 4/20 0.38
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TGFBR1 P36897 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27832687 0.76 KDM4E (0.58) TLR8KDM4ECYP1A2CYP3A4TSHR
SCHEMBL2975857 0.72 TLR8 (0.38) TLR8CSNK1A1CSNK1DPRKCDPAK1
SCHEMBL27593137 0.72 CSNK1A1 (0.70) TLR8CSNK1A1CSNK1DPRKCDPAK1
SCHEMBL8564246 0.72 TLR8 (0.44) TLR8CYP3A4KCNH2
SCHEMBL819273 0.71 LIPG (0.45) TLR8CYP3A4KCNH2
SCHEMBL10982682 0.71 LIPG (0.45) TLR8CYP3A4KCNH2
SCHEMBL26184932 0.71 TLR8 (0.43) TLR8CSNK1A1CSNK1DPRKCDPAK1
SCHEMBL2775024 0.70 TLR8 (0.43) TLR8CYP3A4KCNH2
SCHEMBL28165532 0.70 CSNK1A1 (0.53) TLR8CSNK1A1CSNK1DPRKCDPAK1
SCHEMBL5456922 0.70 TLR8 (0.46) TLR8CSNK1A1CSNK1DPRKCDPAK1

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-111225647-B Dental composition 可乐丽则武齿科株式会社 2023-02-28 CN disclosed