SCHEMBL26229877

SCHEMBL26229877

C[C@]12O[C@@H](c3ccc4c(N)ncnn34)[C@H](O)[C@@]1(O)C2OC(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ PIK3CD O00329 8/20 0.33
▸ DOT1L Q8TEK3 2/20 0.33
▸ TNK2 Q07912 2/20 0.32
▸ PDE2A O00408 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ STING1 Q86WV6 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
SCHEMBL26230172 0.99 POLRMT (0.38) POLRMTPIK3CDDOT1LTNK2STING1
SCHEMBL26239590 0.88 POLRMT (0.37) POLRMTPIK3CDDOT1LSTING1
SCHEMBL26229927 0.86 POLRMT (0.41) POLRMTPIK3CDDOT1LTNK2STING1
SCHEMBL26239930 0.85 POLRMT (0.39) POLRMTPIK3CDDOT1LTNK2STING1
SCHEMBL26230757 0.84 POLRMT (0.36) POLRMTDOT1LSTING1
SCHEMBL26229808 0.83 POLRMT (0.40) POLRMTDOT1LTNK2
SCHEMBL26240577 0.81 POLRMT (0.39) POLRMTPIK3CDDOT1LSTING1
SCHEMBL26229981 0.81 POLRMT (0.40) POLRMTDOT1L
SCHEMBL26229810 0.81 POLRMT (0.40) POLRMTDOT1L
SCHEMBL26229924 0.81 POLRMT (0.40) POLRMTPIK3CDDOT1L

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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