SCHEMBL28408166

SCHEMBL28408166

Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
NAMPT P43490 1/20 0.64
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
CRHBP P24387 1/20 0.59
KMT2A Q03164 1/20 0.59
CRHR2 Q13324 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
NCOR2 Q9Y618 2/20 0.55

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
SCHEMBL28402820 0.85 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2
SCHEMBL7657154 0.83 HDAC1 (0.71) HDAC1NAMPTMEN1LMNAMAPT
SCHEMBL28410650 0.83 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL7657162 0.80 MEN1 (0.74) HDAC1MEN1LMNAMAPTPKM
SCHEMBL28404719 0.80 HDAC1 (1.00) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL28409508 0.78 HDAC1 (0.81) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL28402859 0.78 HDAC1 (1.00) HDAC1NAMPTMAPTHDAC3HDAC2
SCHEMBL28402288 0.77 HDAC1 (1.00) HDAC1NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL2413412 0.77 HDAC1 (0.67) HDAC1HDAC3HDAC2NCOR2
SCHEMBL28405516 0.76 HDAC1 (1.00) HDAC1NAMPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106916101-B NAMPT/HDAC double-target inhibitor and preparation method thereof 聚缘(上海)生物科技有限公司 2020-05-01 CN claimed
CN-106916101-B NAMPT/HDAC double-target inhibitor and preparation method thereof 聚缘(上海)生物科技有限公司 2020-05-01 CN disclosed