SCHEMBL9428552

SCHEMBL9428552

CCCC(Nc1nc(NCCC(=O)O)nc(NC(CCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 1/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
SIRT5 Q9NXA8 1/20 0.31
KDM6B O15054 3/20 0.31
GCG P01275 3/20 0.30
GCGR P47871 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
POLB P06746 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
SCHEMBL9429295 0.92 SCD (0.32) KDM4EKMT2AIDH1SIRT5ALDH1A1
SCHEMBL9428508 0.90 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL9429175 0.88 KDM4E (0.35) KDM4EKMT2ASIRT5
SCHEMBL9427844 0.87 GBA1 (0.35) KMT2AALDH1A1GAA
SCHEMBL9427923 0.87 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL9429157 0.87 KDM4E (0.34) KDM4EKMT2AIDH1KDM6B
SCHEMBL9742736 0.86 IDH1 (0.32) IDH1
SCHEMBL9429379 0.84 KMT2A (0.41) KMT2AALDH1A1GAA
SCHEMBL9427868 0.82 IDH2 (0.36)
SCHEMBL9428950 0.82 PPARA (0.34) KMT2AALDH1A1

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
US-5300544-A Non-migrating 1-hydrocarbyloxy-2,2,6,6-tetramethylpiperdine 1,3,5-triazine derivatives as polymer stabilizers CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed
US-5216156-A Stabilizers having functional groups which chemically bond with polymer substrates CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed