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SCHEMBL9705378

SCHEMBL9705378

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.54
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ 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
SCHEMBL9705754 0.94 TYMP (0.54) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL9706215 0.92 TAS1R3 (0.60) TYMPTAS1R3TAS1R1NT5EHINT1
SCHEMBL6514428 0.91 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL1582054 0.90 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL3313773 0.90 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL9705299 0.90 TYMP (0.56) TYMPTAS1R3TAS1R1NT5EHINT1
SCHEMBL19485498 0.89 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4EHINT1
SCHEMBL17301039 0.89 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4EHINT1
SCHEMBL17301041 0.89 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL19485511 0.89 TYMP (0.49) TYMPTAS1R3TAS1R1KDM4ENT5E

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