SCHEMBL30625922

SCHEMBL30625922

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)CCC(N)=O)cc2)ccc(C(=O)NC2CCNCC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ TOP2A P11388 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CCNT1 O60563 1/20 0.34

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
SCHEMBL20786873 0.83 PLAU (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20786875 0.83 PLAU (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30625925 0.82 LMNA (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22076715 0.81 CHRM3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22076707 0.81 CHRM3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21138155 0.71 EP300 (0.48) HDAC1HDAC8HDAC6TOP2ASMN1; SMN2
SCHEMBL26543681 0.71 PLG (0.38) HDAC3HDAC1HDAC2SMN1; SMN2NPC1
SCHEMBL21137817 0.70 GAA (0.42) HDAC1SMN1; SMN2HPGDRAB9AMEN1
SCHEMBL22099920 0.70 POLB (0.40) TOP2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL26544999 0.70 PLG (0.37) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
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