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SCHEMBL9705754

SCHEMBL9705754

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ HINT1 P49773 1/20 0.44
▸ ADORA1 P30542 2/20 0.43

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
SCHEMBL9705378 0.94 TYMP (0.54) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21878043 0.90 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL7764877 0.90 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL19485498 0.89 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4EHINT1
SCHEMBL17301039 0.89 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4EHINT1
SCHEMBL19485501 0.89 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL17301040 0.89 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL7267975 0.88 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL19493329 0.88 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL21160996 0.88 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1

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-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 — — WO claimed