SCHEMBL24299397

SCHEMBL24299397

C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.62
▸ ADORA3 P0DMS8 1/20 0.61
▸ NT5E P21589 1/20 0.59
▸ STING1 Q86WV6 3/20 0.58
▸ PDE3B Q13370 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.57
▸ GSK3A P49840 2/20 0.55
▸ RPS6KA3 P51812 2/20 0.55
▸ MAPK14 Q16539 2/20 0.55
▸ TGM2 P21980 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ PNP P00491 1/20 0.53
▸ FUT5 Q11128 1/20 0.53

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
SCHEMBL4278130 1.00 HINT1 (0.62) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL16114092 1.00 HINT1 (0.62) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL19938159 1.00 HINT1 (0.62) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL13833323 1.00 HINT1 (0.62) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL2510562 1.00 HINT1 (0.62) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL27221934 0.99 HINT1 (0.61) HINT1ADORA3NT5ESTING1PDE3B
Phosphoric Acid SCHEMBL1299515 0.96 NT5E (0.63) HINT1ADORA3NT5ESTING1PDE3B
Phosphoric Acid SCHEMBL25402859 0.96 NT5E (0.63) HINT1ADORA3NT5ESTING1PDE3B
SCHEMBL21232923 0.92 HINT1 (0.56) HINT1ADORA3NT5ESTING1PDE3B
Phosphoric Acid SCHEMBL17505120 0.92 NT5E (0.61) HINT1ADORA3NT5ESTING1PDE3B

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-20220073951-A1 SYSTEMS AND METHODS FOR THE TREATMENT OF HEMOGLOBINOPATHIES EDITAS MEDICINE, INC. 2022-03-10 — — US disclosed
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