SCHEMBL26231208

SCHEMBL26231208

CO[C@H]1[C@@H](O)[C@H](c2ccc3c(N)ncnn23)O[C@]1(C)COC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.43
▸ DOT1L Q8TEK3 3/20 0.38
▸ RIPK1 Q13546 5/20 0.35
▸ TNK2 Q07912 5/20 0.35
▸ SLC22A1 O15245 1/20 0.32

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
SCHEMBL26229753 0.91 POLRMT (0.47) POLRMTDOT1LRIPK1TNK2SLC22A1
SCHEMBL26230168 0.88 POLRMT (0.44) POLRMTDOT1LRIPK1
SCHEMBL26229804 0.87 POLRMT (0.43) POLRMTDOT1LRIPK1TNK2
SCHEMBL26229818 0.84 POLRMT (0.46) POLRMTDOT1LTNK2
SCHEMBL26229983 0.84 POLRMT (0.41) POLRMTDOT1LRIPK1TNK2
SCHEMBL26229822 0.82 POLRMT (0.38) POLRMTDOT1LRIPK1TNK2
SCHEMBL26238995 0.80 POLRMT (0.48) POLRMTDOT1LRIPK1
SCHEMBL25387285 0.80 POLRMT (0.45) POLRMTDOT1LRIPK1TNK2
SCHEMBL26230341 0.80 POLRMT (0.49) POLRMTDOT1LRIPK1
SCHEMBL26229880 0.79 POLRMT (0.46) POLRMTDOT1LRIPK1TNK2

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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