SCHEMBL19986464

SCHEMBL19986464

Cc1cc(NC(=O)NCC(O)CNc2ccncc2C)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.44
NAMPT P43490 5/20 0.44
LMNA P02545 4/20 0.43
GRM4 Q14833 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ATM Q13315 1/20 0.38
IMPDH2 P12268 1/20 0.38
PRMT3 O60678 1/20 0.38
KDR P35968 2/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL19986462 0.75 BLM (0.42) BLMNAMPTLMNAGRM4MEN1
SCHEMBL19986554 0.72 MEN1 (0.47) BLMNAMPTLMNAGRM4MEN1
SCHEMBL19986463 0.71 LMNA (0.60) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL29824559 0.70 MEN1 (0.55) BLMNAMPTLMNAGRM4MEN1
SCHEMBL19986509 0.70 BLM (0.43) BLMNAMPTLMNAGRM4MEN1
SCHEMBL13363823 0.67 L3MBTL1 (0.49) BLMNAMPTLMNAGRM4MEN1
SCHEMBL19986694 0.66 NAMPT (0.41) BLMNAMPTGRM4MEN1KMT2A
SCHEMBL19986607 0.66 NAMPT (0.41) BLMNAMPTGRM4MEN1KMT2A
SCHEMBL15172131 0.66 ALDH1A1 (0.55) BLMLMNAGRM4MEN1KMT2A
SCHEMBL29824382 0.66 ALDH1A1 (0.55) BLMLMNAGRM4MEN1KMT2A

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