SCHEMBL23218000

SCHEMBL23218000

CC(C)OCCn1c(SCOC(=O)NCC(C)(C)C)nc(=O)c2c1ccn2COC(=O)N(C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 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
SCHEMBL23218002 0.92 LMNA (0.31) LMNAPOLB
SCHEMBL23225648 0.83 LMNA (0.32) LMNAPOLB
SCHEMBL23225712 0.80 POLB (0.33) LMNAPOLB
SCHEMBL27102074 0.78 LMNA (0.33) LMNAPOLB
SCHEMBL23225607 0.77 TSHR (0.32) LMNAPOLB
SCHEMBL23217954 0.77 MEN1 (0.31) —
SCHEMBL23217973 0.74 OPRM1 (0.43) LMNAPOLB
SCHEMBL27102043 0.67 TSHR (0.33) LMNAPOLB
SCHEMBL23225647 0.65 OPRM1 (0.46) LMNAPOLB
SCHEMBL23225646 0.64 OPRM1 (0.45) LMNAPOLB

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-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 — — WO disclosed
Send feedback