SCHEMBL27409985

SCHEMBL27409985

CCCCn1cc(CNC(=O)CCCC#Cc2cnc(SC)nc2)nn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 7/20 0.37
▸ GLS O94925 2/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL25046734 0.92 FNTA (0.35) GLSFNTAFNTBHDAC3HDAC4
SCHEMBL27409833 0.88 CNR2 (0.34) GBA1GLSFNTAFNTBCNR2
SCHEMBL22561401 0.85 GLS (0.30) GLS
SCHEMBL27409884 0.84 GLS (0.33) GLS
SCHEMBL27411266 0.82 GLS (0.31) GLSCNR2
SCHEMBL25045551 0.77 ALDH1A1 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22561332 0.77 — —
SCHEMBL24380517 0.77 GBA1 (0.55) GBA1EPHX2HDAC3HDAC4HDAC1
SCHEMBL22618800 0.76 GBA1 (0.38) GBA1GLSCNR2
SCHEMBL30029253 0.74 EGLN1 (0.37) EPHX2

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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