SCHEMBL28906708

SCHEMBL28906708

CCCCCCOCCCCCCCCc1cccnc1N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.42
TSHR P16473 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
BACE1 P56817 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MCHR1 Q99705 1/20 0.39
NOS1 P29475 1/20 0.39
DHFR P00374 4/20 0.38

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
SCHEMBL11401202 0.91 TLR8 (0.47) TLR8LIPGBACE1TLR7NOS1
SCHEMBL28020387 0.91 TLR8 (0.47) TLR8LIPGBACE1TLR7NOS1
SCHEMBL27725467 0.91 TLR8 (0.47) TLR8LIPGBACE1TLR7NOS1
SCHEMBL6982374 0.91 TLR8 (0.47) TLR8LIPGBACE1TLR7NOS1
Hydrochloric Acid SCHEMBL8582822 0.89 TLR8 (0.46) TLR8LIPGBACE1TLR7NOS1
SCHEMBL750976 0.89 TLR8 (0.49) TLR8LIPGBACE1TLR7NOS1
SCHEMBL8049756 0.84 BACE1 (0.49) TLR8LIPGBACE1TLR7NOS1
SCHEMBL28506433 0.79 CYP1A2 (0.41) TLR8TSHRMCHR1DHFR
SCHEMBL9168411 0.79 LIPG (0.56) TSHRLIPG
SCHEMBL2384178 0.77 BACE1 (0.51) TLR8BACE1NOS1

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