SCHEMBL18519982

SCHEMBL18519982

CO[C@H]1C[C@H](n2cc(F)c3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ PRMT5 O14744 9/20 0.41
▸ WDR77 Q9BQA1 5/20 0.41
▸ ADK P55263 5/20 0.41
▸ DOT1L Q8TEK3 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL2 P42684 3/20 0.40
▸ METTL3 Q86U44 2/20 0.40

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
SCHEMBL17106775 0.87 PRMT5 (0.40) CA2PRMT5WDR77ADKDOT1L
SCHEMBL17131291 0.86 ADK (0.43) CA2PRMT5WDR77ADKDOT1L
SCHEMBL18490333 0.85 ADK (0.52) CA2PRMT5ADKDOT1LNPC1
SCHEMBL17106858 0.85 ADK (0.52) CA2PRMT5ADKDOT1LNPC1
SCHEMBL16360128 0.80 ADA (0.57) DOT1LHTTEGFR
SCHEMBL15832423 0.80 ADA (0.57) DOT1LHTTEGFR
SCHEMBL10432419 0.80 ADA (0.57) DOT1LHTTEGFR
SCHEMBL17131292 0.78 ADK (0.45) CA2PRMT5WDR77ADKMETTL3
SCHEMBL25948798 0.78 PRMT5 (0.49) PRMT5ADKDOT1LMETTL3
SCHEMBL17106721 0.77 PRMT5 (0.38) CA2PRMT5WDR77ADKMETTL3

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
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
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