SCHEMBL26772068

SCHEMBL26772068

COC(=O)c1cc(OC)c2c(c1)nc(N)n2C/C=C/CNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.57
▸ CYP3A4 P08684 1/20 0.47
▸ IRF3 Q14653 1/20 0.36
▸ ATM Q13315 3/20 0.36

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
Bromide SCHEMBL29080462 0.99 STING1 (0.56) STING1CYP3A4IRF3ATM
Bromide SCHEMBL29791230 0.99 STING1 (0.56) STING1CYP3A4IRF3ATM
Bromide SCHEMBL30615794 0.99 STING1 (0.56) STING1CYP3A4IRF3ATM
SCHEMBL22925517 0.93 STING1 (0.65) STING1CYP3A4
SCHEMBL22121522 0.93 STING1 (0.65) STING1CYP3A4
SCHEMBL22121394 0.83 KDM4E (0.47) STING1CYP3A4
SCHEMBL23077541 0.83 STING1 (0.57) STING1CYP3A4
SCHEMBL23095398 0.82 STING1 (0.54) STING1CYP3A4
SCHEMBL29437070 0.82 STING1 (0.54) STING1CYP3A4
SCHEMBL25098724 0.81 STING1 (0.68) STING1CYP3A4ATM

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-2023215740-A1 IMMUNOMODULATORY ANTIBODY-DRUG CONJUGATES SEAGEN INC. (US) 2023-11-09 — — WO disclosed
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