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Sugi Predict / Compounds / SCHEMBL25504668

SCHEMBL25504668

SCHEMBL25504668

CC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(NCC(C)C)nc32)C[C@H]1OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ POLA1 P09884 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL9913499 0.89 KDM4E (0.59) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL25505327 0.89 KDM4E (0.59) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL25504740 0.84 KDM4E (0.66) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL3278946 0.82 KDM4E (0.48) KDM4EPOLA1POLB
SCHEMBL12017695 0.80 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL21620265 0.78 KDM4E (0.43) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL24102841 0.77 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL23898886 0.77 KDM4E (0.54) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL9608777 0.77 POLA1 (0.57) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL25504673 0.77 POLA1 (0.57) KDM4EPOLA1TAS1R3TAS1R1POLB

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
US-20230159922-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2023-05-25 — — US disclosed