SCHEMBL28890797

SCHEMBL28890797

CC1(C)OC(c2ccn(C3CCCCO3)n2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.38
▸ IDH1 O75874 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ RET P07949 1/20 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
SCHEMBL26114225 0.80 CD274 (0.42) CD274IDH1MEN1KMT2ACYP2C19
SCHEMBL30210888 0.78 CD274 (0.39) CD274IDH1MEN1KMT2ACYP2C19
SCHEMBL31180419 0.77 CD274 (0.39) CD274IDH1MEN1KMT2ACYP4F2
SCHEMBL14726436 0.75 CD274 (0.40) CD274IDH1MEN1KMT2ACYP2C19
SCHEMBL1534508 0.75 CD274 (0.35) CD274IDH1MEN1KMT2ACYP2C19
SCHEMBL27380210 0.75 CD274 (0.37) CD274IDH1CYP4F2CYP4A11RET
SCHEMBL31510673 0.74 CD274 (0.39) CD274IDH1MEN1KMT2ACYP4F2
SCHEMBL17063335 0.73 KDM5B (0.38) CYP2C19CYP4F2CYP4A11
SCHEMBL15465167 0.73 CD274 (0.40) CD274IDH1MEN1KMT2ACYP4F2
SCHEMBL15464745 0.73 CD274 (0.40) CD274IDH1MEN1KMT2ACYP4F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187256-A Triazine trispyrazole compound and preparation method and application thereof 北京工业大学 2020-05-22 — — CN claimed
CN-111187256-A Triazine trispyrazole compound and preparation method and application thereof 北京工业大学 2020-05-22 — — CN disclosed
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