SCHEMBL30147686

SCHEMBL30147686

CNC(=O)c1cccc(N(C)S)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GFER P55789 1/20 0.46
SLC7A5 Q01650 1/20 0.43
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
PKM P14618 1/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL7495727 0.86 POLB (0.69) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL13151157 0.83 HDAC8 (0.56) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL10294649 0.80 HDAC6 (0.53) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL5909363 0.79 HDAC8 (0.83) HDAC8HDAC6POLBKDM4ESMN1; SMN2
SCHEMBL15387056 0.79 PARP1 (0.53) POLBHSD17B10MAPTMEN1KMT2A
SCHEMBL10154035 0.76 HDAC8 (0.51) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL27736470 0.75 KDM4E (0.56) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL2954975 0.75 HDAC8 (0.65) HDAC8HDAC6LMNAPOLBKDM4E
SCHEMBL10761520 0.74 HDAC8 (0.69) HDAC8HDAC6POLBKDM4ESMN1; SMN2
SCHEMBL14573364 0.74 HDAC8 (0.63) HDAC8HDAC6POLBKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed