SCHEMBL28626741

SCHEMBL28626741

CC(CC(C)NC1=C(Cl)C=NCN1Cl)NC(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.41
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL19986652 0.76 LMNA (0.53) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL28587704 0.75 NPC1 (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL14433861 0.71 MEN1 (0.64) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL19986508 0.67 LMNA (0.57) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL19986655 0.65 BLM (0.42) LMNATSHRRAB9A
SCHEMBL31308946 0.64 LMNA (1.00) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL12064759 0.63 SLC2A1 (0.73) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL19986453 0.63 LMNA (0.67) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL31309231 0.62 MEN1 (0.78) LMNAMEN1KMT2AMAPTTSHR
SCHEMBL22094925 0.62 LMNA (0.50) LMNAMEN1KMT2AMAPTTSHR

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-113429341-A Novel capsid protein assembly inhibitors 正大天晴药业集团股份有限公司 2021-09-24 CN disclosed