SCHEMBL5987461

SCHEMBL5987461

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.51
▸ NT5E P21589 1/20 0.51
▸ POLB P06746 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ FUT5 Q11128 1/20 0.47
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ IMPDH2 P12268 1/20 0.46
▸ KRAS P01116 6/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ PNP P00491 1/20 0.45

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
SCHEMBL15189562 0.86 NT5E (0.53) HINT1NT5EPOLBTGM2TAS1R3
SCHEMBL29093004 0.82 NT5E (0.56) HINT1NT5EPOLBTGM2TAS1R3
SCHEMBL29093384 0.79 TGM2 (0.58) HINT1NT5EPOLBTGM2TAS1R3
SCHEMBL1611244 0.79 HINT1 (0.77) HINT1NT5ETGM2FUT5GSK3A
SCHEMBL367384 0.78 POLB (0.65) HINT1NT5EPOLBGSK3ARPS6KA3
SCHEMBL31359443 0.77 TGM2 (0.56) HINT1NT5EPOLBTGM2TAS1R3
SCHEMBL29958647 0.77 NT5E (0.52) HINT1NT5EPOLBTGM2TAS1R3
SCHEMBL6363921 0.76 HINT1 (0.65) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL28911222 0.76 HPGD (0.54) HINT1NT5ETGM2GSK3ARPS6KA3
SCHEMBL5663210 0.75 HINT1 (0.61) HINT1NT5ETGM2TAS1R3TAS1R1

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-1710249-A1 RIBONUCLEIC ACID COMPOUND AND METHOD OF LIQUID-PHASE SYNTHESIS OF OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2006-10-11 — — EP disclosed
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