SCHEMBL27409833

SCHEMBL27409833

CCCCOC(C)CCn1cc(CNC(=O)CCCC#Cc2cnc(SC)nc2)nn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ BCHE P06276 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ZDHHC20 Q5W0Z9 1/20 0.30
▸ GLS O94925 2/20 0.30
▸ GBA1 P04062 2/20 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
SCHEMBL27409884 0.93 GLS (0.33) BCHEGLS
SCHEMBL27411266 0.91 GLS (0.31) CNR2BCHEGLS
SCHEMBL27409985 0.88 GBA1 (0.37) CNR2FNTAFNTBGLSGBA1
SCHEMBL25046734 0.84 FNTA (0.35) FNTAFNTBGLS
SCHEMBL27409581 0.81 GLS (0.33) GLS
SCHEMBL22561401 0.79 GLS (0.30) GLS
SCHEMBL22561332 0.73 — —
SCHEMBL25045551 0.72 ALDH1A1 (0.30) TSHR
SCHEMBL27411159 0.71 GLS (0.32) GLS
SCHEMBL21286187 0.69 GBA1 (0.47) GBA1

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-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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