SCHEMBL24789503

SCHEMBL24789503

O=C(Nc1ncnn2c(C3O[C@H](CO)C[C@H]3O)ccc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BTK Q06187 3/20 0.34
▸ DOT1L Q8TEK3 1/20 0.33

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
SCHEMBL25399504 0.85 TMPRSS2 (0.44) TMPRSS2ABL1RIN1TDP1ALDH1A1
SCHEMBL16708473 0.82 TMPRSS2 (0.49) TMPRSS2TDP1ADORA3
SCHEMBL25401476 0.80 TMPRSS2 (0.38) TMPRSS2ABL1RIN1TDP1ALDH1A1
SCHEMBL16708477 0.80 TMPRSS2 (0.47) TMPRSS2TDP1POLBADORA3
SCHEMBL16708472 0.78 TMPRSS2 (0.42) TMPRSS2TDP1ALDH1A1NPC1ATM
SCHEMBL16708480 0.77 TMPRSS2 (0.43) TMPRSS2ABL1RIN1TDP1ALDH1A1
SCHEMBL14642742 0.77 POLRMT (0.39) ADORA3DOT1L
SCHEMBL21120506 0.77 POLRMT (0.39) ADORA3DOT1L
SCHEMBL10154352 0.77 POLRMT (0.39) ADORA3DOT1L
SCHEMBL19101806 0.77 TMPRSS2 (0.42) TMPRSS2ABL1RIN1TDP1ALDH1A1

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-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
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