SCHEMBL19986462

SCHEMBL19986462

Cc1cc(NC(=O)NC2(CNc3ccncc3C)CCCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
NAMPT P43490 3/20 0.41
KCNJ6 P48051 4/20 0.38
KCNJ5 P48544 4/20 0.38
KCNJ3 P48549 4/20 0.38
GRM4 Q14833 1/20 0.37
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
KDR P35968 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ATM Q13315 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36

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
SCHEMBL19986668 0.86 KCNJ6 (0.39) BLMNAMPTKCNJ6KCNJ5KCNJ3
SCHEMBL19986713 0.86 KCNJ6 (0.39) BLMNAMPTKCNJ6KCNJ5KCNJ3
SCHEMBL19986464 0.75 BLM (0.44) BLMNAMPTGRM4MEN1LMNA
SCHEMBL19986517 0.73 KMT2A (0.48) MEN1LMNAKMT2AMAPTRAB9A
SCHEMBL19986607 0.72 NAMPT (0.41) BLMNAMPTKCNJ6KCNJ5KCNJ3
SCHEMBL19986667 0.72 ALDH1A1 (0.48) MEN1LMNAKMT2AMAPTRAB9A
SCHEMBL19986711 0.72 ALDH1A1 (0.48) MEN1LMNAKMT2AMAPTRAB9A
SCHEMBL19986694 0.72 NAMPT (0.41) BLMNAMPTKCNJ6KCNJ5KCNJ3
SCHEMBL19986634 0.69 KMT2A (0.41) BLMNAMPTKCNJ6KCNJ5KCNJ3
SCHEMBL19986603 0.67 NAMPT (0.42) BLMNAMPTKCNJ6KCNJ5KCNJ3

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