SCHEMBL21901451

SCHEMBL21901451

CCCCNC(=O)CC(=O)NCc1ccc(-c2nnc(C)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC8 Q9BY41 4/20 0.45
▸ HDAC3 O15379 4/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL18119800 0.84 POLB (0.46) HPGDHDAC1HDAC2HDAC8HDAC3
SCHEMBL24263874 0.79 HPGD (0.52) HPGDHDAC4HDAC6
SCHEMBL17637139 0.78 MEN1 (0.52) HPGDHDAC1HDAC2HDAC8HDAC3
SCHEMBL18119788 0.78 KMT2A (0.56) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL25457352 0.77 HTT (0.58) ALDH1A1LTB4R2TPSAB1
SCHEMBL31742277 0.77 HDAC3 (0.46) HPGDHDAC1HDAC2HDAC8HDAC3
SCHEMBL21786938 0.77 MEN1 (0.49) HPGDHDAC1HDAC2HDAC8HDAC3
SCHEMBL17721289 0.77 HTT (0.43) HPGDHDAC1HDAC2HDAC8HDAC3
SCHEMBL18121970 0.76 SMN1; SMN2 (0.42) HPGDALDH1A1SMN1; SMN2TPSAB1EPHX2
SCHEMBL18270260 0.76 SMN1; SMN2 (0.40) HPGDHDAC1HDAC6SMN1; SMN2TPSAB1

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-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 — — WO disclosed
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