Sugi Predict

Sugi Predict / Compounds / SCHEMBL16221581

SCHEMBL16221581

SCHEMBL16221581

CCCCC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OP(=O)(S)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.53
▸ TERT O14746 2/20 0.48
▸ F2 P00734 2/20 0.43
▸ TK1 P04183 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ P2RY1 P47900 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
SCHEMBL27062508 0.93 DTYMK (0.55) DTYMKTERTF2TK1POLB
SCHEMBL18158882 0.90 DTYMK (0.58) DTYMKTERTF2TK1POLB
SCHEMBL18158887 0.90 DTYMK (0.58) DTYMKTERTF2TK1POLB
SCHEMBL24239532 0.90 DTYMK (0.58) DTYMKTERTF2TK1POLB
SCHEMBL24239526 0.86 TERT (0.57) DTYMKTERTF2TK1POLB
SCHEMBL19681293 0.86 DTYMK (0.55) DTYMKTERTF2
SCHEMBL5852678 0.84 DTYMK (0.63) DTYMKTERTTK1
SCHEMBL26220893 0.84 DTYMK (0.58) DTYMKTERTF2TK1POLB
SCHEMBL27062429 0.84 DTYMK (0.58) DTYMKTERTF2TK1POLB
SCHEMBL27062409 0.84 DTYMK (0.58) DTYMKTERTF2TK1POLB

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-2014179627-A2 COMPOSITIONS AND METHODS FOR MODULATING HBV AND TTR EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2014-11-06 — — WO disclosed
Send feedback