SCHEMBL19146820

SCHEMBL19146820

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](N=Cc2ccccc2)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ HINT1 P49773 6/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ IMPDH2 P12268 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41
▸ PNP P00491 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL19145875 0.87 HPGD (0.39) HPGDHINT1TAS1R3TAS1R1NT5E
SCHEMBL19146252 0.86 KDM4E (0.48) HPGDHINT1TAS1R3TAS1R1TAAR1
SCHEMBL19127991 0.85 TYMP (0.52) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL19127992 0.85 TYMP (0.52) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL19145869 0.84 ADORA3 (0.50) ADORA2AADORA1
SCHEMBL26808338 0.82 HINT1 (0.51) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL29973359 0.82 HINT1 (0.55) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL25390285 0.82 TAS1R3 (0.53) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL29479244 0.82 TAS1R3 (0.53) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL24377160 0.82 TAS1R3 (0.53) HPGDHINT1TAS1R3TAS1R1GSK3A

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-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO disclosed
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