SCHEMBL25046734

SCHEMBL25046734

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.35
▸ FNTB P49356 3/20 0.35
▸ HDAC1 Q13547 6/20 0.33
▸ GAA P10253 1/20 0.32
▸ FTO Q9C0B1 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 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
SCHEMBL27409985 0.92 GBA1 (0.37) FNTAFNTBHDAC1HDAC3HDAC4
SCHEMBL22561401 0.87 GLS (0.30) GLS
SCHEMBL27409833 0.84 CNR2 (0.34) FNTAFNTBGLS
SCHEMBL27409884 0.83 GLS (0.33) GLS
SCHEMBL27411266 0.81 GLS (0.31) GLS
SCHEMBL25045551 0.79 ALDH1A1 (0.30) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22561332 0.79 — —
SCHEMBL30029253 0.76 EGLN1 (0.37) —
SCHEMBL25045543 0.73 PARP14 (0.31) —
SCHEMBL24380526 0.73 EPHX2 (0.49) —

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-2023016488-A1 MICROTUBULE INHIBITOR-BASED ANTIBODY-DRUG CONJUGATE 昆山新蕴达生物科技有限公司 2023-02-16 — — WO disclosed
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