SCHEMBL29592995

SCHEMBL29592995

CC(C)n1c(=O)oc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.37
BACE1 P56817 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LPL P06858 9/20 0.36
LIPG Q9Y5X9 9/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL20356417 1.00 CSF1R (0.37) CSF1RBACE1IRAK4LPLLIPG
SCHEMBL30639701 0.88 LPL (0.37) CSF1RBACE1IRAK4LPLLIPG
SCHEMBL26614656 0.88 LPL (0.37) CSF1RBACE1IRAK4LPLLIPG
SCHEMBL19411754 0.85 PIK3CD (0.41) CSF1RBACE1IRAK4LPLLIPG
SCHEMBL30538044 0.84 CTSC (0.30)
SCHEMBL29038850 0.84 CTSC (0.30)
SCHEMBL16932271 0.83 CTSC (0.31)
SCHEMBL782545 0.82 DDB1 (0.42) CSF1RIRAK4LPLLIPGPRMT5
SCHEMBL16475230 0.78 LPL (0.40) CSF1RLPLLIPGIDO1
SCHEMBL29455590 0.78 CSF1R (0.37) CSF1RIRAK4LPLLIPGPRMT5

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-108264512-B Nitrogen-containing fused heterocyclic compound, preparation method, intermediate, composition and application thereof 上海医药集团股份有限公司 2022-05-03 CN disclosed