SCHEMBL31026028

SCHEMBL31026028

CC(=Nc1cc(O)c(N=C(C)N(C)C)cc1O)N(C)C

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HKDC1 Q2TB90 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL5081785 0.67 — —
SCHEMBL15153265 0.67 SIGMAR1 (0.51) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL31534601 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10533411 0.66 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL16710205 0.63 SIGMAR1 (0.55) —
SCHEMBL7260907 0.62 NOS1 (0.56) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL7260909 0.62 NOS1 (0.56) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15159798 0.60 HTR3E (0.52) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15153262 0.60 HTR3E (0.52) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL11733750 0.59 NOS1 (0.59) KDM4EMEN1ALDH1A1POLBGAA

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-118059839-B Preparation method of wastewater purification composite material containing barium chloride 重庆市鲁渝矿业发展有限公司 2024-08-06 — — CN disclosed
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