SCHEMBL19986584

SCHEMBL19986584

Cc1cncc(C)c1NC(C)CNC(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HTT P42858 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC2A1 P11166 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL19986453 0.91 LMNA (0.67) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986510 0.80 LMNA (0.65) LMNAMEN1KMT2AHTTNPC1
SCHEMBL31308946 0.79 LMNA (1.00) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986652 0.77 LMNA (0.53) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986508 0.76 LMNA (0.57) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986463 0.76 LMNA (0.60) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986655 0.76 BLM (0.42) LMNARAB9ATSHR
SCHEMBL19986539 0.75 LMNA (0.58) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986553 0.73 KMT2A (0.63) LMNAMEN1KMT2AHTTNPC1
SCHEMBL19986509 0.73 BLM (0.43) LMNAMEN1KMT2AHTTNPC1

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-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed