SCHEMBL29975486

SCHEMBL29975486

N#Cc1ccc2c(c1)COC(c1cc(Br)nn1-c1ncccc1Cl)=N2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.33
▸ CRHR1 P34998 1/20 0.32
▸ P2RX7 Q99572 2/20 0.30

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
SCHEMBL30749776 0.89 DHODH (0.35) DHODH
SCHEMBL30064843 0.77 DHODH (0.39) DHODH
SCHEMBL950728 0.75 DHODH (0.36) DHODHCRHR1
SCHEMBL23249519 0.70 DHODH (0.36) DHODHCRHR1
SCHEMBL29514767 0.70 DHODH (0.36) DHODHCRHR1
SCHEMBL27727904 0.69 DHODH (0.34) DHODH
SCHEMBL29974835 0.69 DHODH (0.36) DHODH
SCHEMBL954792 0.66 DHODH (0.36) DHODH
SCHEMBL12528293 0.65 DHODH (0.37) DHODH
SCHEMBL3254036 0.65 DHODH (0.39) DHODH

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-115385903-A Preparation method of cyano-substituted benzoxazine-4-one derivative 江苏扬农化工股份有限公司 2022-11-25 — — CN disclosed
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