SCHEMBL27157713

SCHEMBL27157713

Cc1cn([C@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H](CP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.48
NT5M Q9NPB1 1/20 0.46
TK1 P04183 6/20 0.44
RNASE1 P07998 1/20 0.44
TK2 O00142 1/20 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
SCHEMBL29975279 0.95 TYMP (0.44) TYMPNT5MTK1RNASE1TK2
SCHEMBL409820 0.89 RNASE1 (0.50) TK1RNASE1TK2
SCHEMBL441127 0.89 RNASE1 (0.50) TK1RNASE1TK2
SCHEMBL19660825 0.88 TK1 (0.45) TK1RNASE1TK2
SCHEMBL27157933 0.87 TK1 (0.41) TYMPNT5MTK1RNASE1
SCHEMBL19953995 0.87 TK1 (0.44) TK1RNASE1TK2
SCHEMBL29975987 0.86 NT5M (0.38) TYMPNT5MTK1RNASE1TK2
SCHEMBL23713976 0.85 TK1 (0.44) NT5MTK1RNASE1TK2
SCHEMBL16144800 0.85 TK1 (0.44) NT5MTK1RNASE1TK2
SCHEMBL14980479 0.85 TK1 (0.44) NT5MTK1RNASE1TK2

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
EP-4332111-A1 METHOD FOR PRODUCING OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2024-03-06 EP claimed
EP-4332111-A1 METHOD FOR PRODUCING OLIGONUCLEIC ACID COMPOUND Nippon Shinyaku Co., Ltd. (JP) 2024-03-06 EP disclosed