SCHEMBL21063348

SCHEMBL21063348

COc1ccc(CO[C@H]2[C@@H](O)[C@H](c3cnc4c(NC(=O)c5ccccc5)ncnn34)O[C@@H]2CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TMIGD3 P0DMS9 3/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ PDE1B Q01064 2/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL26298195 0.90 ALDH1A1 (0.37) ALDH1A1KMT2ATMIGD3PDE1BPTPN2
SCHEMBL25495987 0.82 TMPRSS2 (0.41) ALDH1A1LGALS3SMN1; SMN2
SCHEMBL25495980 0.78 TMPRSS2 (0.36) LGALS3
SCHEMBL26298122 0.75 ADORA1 (0.57) —
SCHEMBL18490384 0.74 GALR3 (0.41) TMIGD3LGALS3
SCHEMBL25495999 0.74 TMPRSS2 (0.32) —
SCHEMBL25496003 0.73 PDE4B (0.33) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL18490517 0.73 TYMP (0.40) ALDH1A1TMIGD3RETKDR
SCHEMBL25912544 0.71 TMPRSS2 (0.43) LGALS3HTT
SCHEMBL18510821 0.70 TTK (0.36) ALDH1A1TMIGD3NPC1RAB9AMAPT

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
EP-3724205-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS Janssen Biotech, Inc. (US) 2020-10-21 — — EP disclosed
WO-2019118839-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2019-06-20 — — WO disclosed
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