SCHEMBL17762956

SCHEMBL17762956

CC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)C[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 14/20 0.53
▸ HASPIN Q8TF76 1/20 0.44
▸ MTOR P42345 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATG7 O95352 1/20 0.39
▸ STING1 Q86WV6 1/20 0.39
▸ PRMT5 O14744 2/20 0.37
▸ METTL3 Q86U44 1/20 0.37

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
SCHEMBL17762955 0.86 ADK (0.39) ADK
SCHEMBL17762957 0.85 CA2 (0.43) ADKPRMT5
SCHEMBL17762958 0.85 CA2 (0.43) ADKPRMT5METTL3
SCHEMBL17762965 0.81 TK1 (0.35) ADKSTING1
SCHEMBL17762951 0.81 DNMT1 (0.36) ADK
SCHEMBL25468047 0.80 ADK (0.66) ADKHASPINMTORRAB9AATG7
SCHEMBL17762954 0.80 ADK (0.66) ADKHASPINMTORRAB9AATG7
SCHEMBL17131324 0.79 ADK (0.61) ADKHASPINMTORRAB9ASTING1
SCHEMBL10015663 0.79 ADK (0.61) ADKHASPINMTORRAB9ASTING1
SCHEMBL19120193 0.79 ADK (0.44) ADK

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
US-20160139133-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2016-05-19 — — US disclosed
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