SCHEMBL19986554

SCHEMBL19986554

Cc1cc(NC(=O)NCCNc2c(C)cncc2C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BLM P54132 1/20 0.45
NAMPT P43490 2/20 0.44
KDR P35968 2/20 0.44
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GRM4 Q14833 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 3/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 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
SCHEMBL19986564 0.93 NAMPT (0.52) MEN1KMT2ANAMPTALDH1A1LMNA
SCHEMBL19986446 0.90 KMT2A (0.49) MEN1KMT2ANAMPTSLC6A3ALDH1A1
SCHEMBL19986507 0.85 KMT2A (0.38) MEN1KMT2ANAMPTSLC6A3ALDH1A1
SCHEMBL19986699 0.84 LMNA (0.53) MEN1KMT2ANAMPTMAPTLMNA
SCHEMBL19986631 0.81 KMT2A (0.53) MEN1KMT2ANAMPTALDH1A1MAPT
SCHEMBL19986607 0.80 NAMPT (0.41) MEN1KMT2ABLMNAMPTKDR
SCHEMBL19986694 0.80 NAMPT (0.41) MEN1KMT2ABLMNAMPTKDR
SCHEMBL19986509 0.80 BLM (0.43) MEN1KMT2ABLMNAMPTKDR
SCHEMBL19986683 0.80 KDR (0.38) BLMNAMPTKDRMAPTGRM4
SCHEMBL19986516 0.80 KDM4E (0.43) MEN1KMT2AALDH1A1MAPTLMNA

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