SCHEMBL29063368

SCHEMBL29063368

COC(=O)C(CC1CC1(F)F)NC(=O)c1cc2c(OC)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ RCE1 Q9Y256 1/20 0.54
▸ CTSB P07858 5/20 0.49
▸ CTSL P07711 4/20 0.49
▸ CTSS P25774 4/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ IL2 P60568 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL30009402 1.00 MEN1 (0.54) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL24021127 1.00 MEN1 (0.54) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL29063309 0.92 MEN1 (0.57) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL24021128 0.92 MEN1 (0.57) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL30310539 0.92 MEN1 (0.57) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL24021129 0.86 CTSB (0.65) CTSBCTSLCTSS
SCHEMBL30008375 0.86 CTSB (0.65) CTSBCTSLCTSS
SCHEMBL30174726 0.83 KMT2A (0.55) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL28951850 0.83 KMT2A (0.55) MEN1KMT2ARCE1CTSBCTSL
SCHEMBL25533122 0.83 KMT2A (0.55) MEN1KMT2ARCE1CTSBCTSL

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
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
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