SCHEMBL22475037

SCHEMBL22475037

C#C[C@@H]1[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CI)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ IMPDH2 P12268 6/20 0.36
▸ IMPDH1 P20839 2/20 0.36
▸ HINT1 P49773 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ NT5E P21589 1/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL23171036 0.80 ADORA3 (0.50) HPGDHINT1STING1NT5EADORA3
SCHEMBL18672166 0.80 HPGD (0.36) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL16144362 0.77 HPGD (0.44) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL16144363 0.75 HPGD (0.41) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL15070825 0.74 HPGD (0.41) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL15837260 0.74 ADORA3 (0.37) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL18022452 0.73 HPGD (0.39) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL18022450 0.73 HPGD (0.42) HPGDIMPDH2IMPDH1HINT1TAS1R3
SCHEMBL15837294 0.73 ADORA3 (0.36) HPGDIMPDH2IMPDH1HINT1NT5E
SCHEMBL17357693 0.72 HPGD (0.46) HPGDIMPDH2PAX8ADORA3

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
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
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