SCHEMBL28454451

SCHEMBL28454451

CC(C)C(NC(=O)CCCC#Cc1cnc(S(C)(=O)=O)nc1)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ FURIN P09958 3/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPY5R Q15761 4/20 0.32
▸ NPY4R P50391 4/20 0.32
▸ NPY1R P25929 3/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ ADAM10 O14672 1/20 0.32

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
SCHEMBL22618780 1.00 NMT2 (0.37) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL27189813 0.92 HDAC3 (0.35) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL23193234 0.91 FURIN (0.32) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL22618807 0.91 FURIN (0.32) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL22618769 0.91 HDAC3 (0.34) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL26755869 0.87 NMT2 (0.34) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL26758333 0.87 NMT2 (0.34) NMT2NMT1HDAC3HDAC4HDAC1
SCHEMBL24872282 0.82 FURIN (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23355149 0.80 CTSL (0.42) FURINHTTNPY5RNPY4RNPY1R
SCHEMBL15692124 0.80 NMT2 (0.45) NMT2NMT1FURINNPY5RNPY4R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698414-A Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-11-26 — — CN disclosed
CN-113683622-A Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-11-23 — — CN disclosed
CN-113651831-A Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-11-16 — — CN disclosed
CN-113603703-A Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-11-05 — — CN disclosed
CN-111295389-B Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-10-22 — — CN disclosed
CN-111295389-A Bioactive substance conjugate and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-06-16 — — CN disclosed
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