SCHEMBL9428557

SCHEMBL9428557

CCCC(Nc1nc(NCCO)nc(NCCCCCCNc2nc(NCCO)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
CDK1 P06493 3/20 0.32
CDK2 P24941 2/20 0.32
GBA1 P04062 2/20 0.32
SLC29A1 Q99808 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCNA1 P78396 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL78005 0.96 CDK1 (0.33) KMT2ACDK1CDK2GBA1SLC29A1
SCHEMBL9428450 0.93 KMT2A (0.37) KMT2AGBA1SLC29A1
SCHEMBL9207772 0.92 ADAMTS5 (0.33) HRH4
SCHEMBL9429082 0.91 KMT2A (0.37) KMT2AALDH1A1
SCHEMBL9428468 0.91 HTR7 (0.33)
SCHEMBL9428294 0.90 FLT3 (0.32) CDK1CDK2ALDH1A1
SCHEMBL9427998 0.90 FFAR4 (0.32)
SCHEMBL9428172 0.89 CDK1 (0.31) CDK1
SCHEMBL1231052 0.87 IDH1 (0.31)
SCHEMBL9429379 0.87 KMT2A (0.41) KMT2AGBA1SLC29A1ALDH1A1HRH4

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