SCHEMBL28857790

SCHEMBL28857790

COC(=O)c1cc(N=O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL27415147 0.81 MMP2 (0.35) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL21603990 0.81 MMP2 (0.35) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL2246566 0.77 BAZ2B (0.62) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL295558 0.77 MAPK1 (0.42) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL69696 0.77 MEN1 (0.44) MAPK1BAZ2BALDH1A1KDM4EHPGD
SCHEMBL20419546 0.76 KDM4E (0.42) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL24915278 0.75 MEN1 (0.42) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL1312720 0.75 MAPK1 (0.41) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL1314210 0.75 MAPT (0.41) MMP2MMP13MMP14MAPK1BAZ2B
SCHEMBL478715 0.75 MAPK1 (0.41) MMP2MMP13MMP14MAPK1BAZ2B

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-105001225-B The heterocyclic modulators of lipid synthesis 3-V 生物科学公司 2018-04-06 — — CN disclosed
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