SCHEMBL19986655

SCHEMBL19986655

Cc1cc(NC(=O)NC(C)CC(C)Nc2c(C)cncc2C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
KDR P35968 6/20 0.42
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
GRM4 Q14833 1/20 0.39
LCK P06239 5/20 0.38
CSF1R P07333 5/20 0.38
LYN P07948 5/20 0.38
KIT P10721 5/20 0.38
SRC P12931 5/20 0.38
FLT4 P35916 5/20 0.38
FLT3 P36888 5/20 0.38
BLK P51451 5/20 0.38
FLT1 P17948 4/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
NAMPT P43490 1/20 0.38
FYN P06241 4/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL19986509 0.85 BLM (0.43) BLMKDRTSHRRECQLGRM4
SCHEMBL19986652 0.81 LMNA (0.53) TSHRLMNARAB9A
SCHEMBL19986584 0.76 LMNA (0.64) TSHRLMNARAB9A
SCHEMBL19986554 0.74 MEN1 (0.47) BLMKDRRECQLGRM4LCK
SCHEMBL19986457 0.71 NPC1 (0.47) BLMKDRTSHRGRM4EPHX2
SCHEMBL19986508 0.69 LMNA (0.57) TSHRLMNARAB9A
SCHEMBL19986694 0.68 NAMPT (0.41) BLMKDRGRM4NAMPTUSP2
SCHEMBL19986713 0.68 KCNJ6 (0.39) BLMKDRGRM4LCKCSF1R
SCHEMBL19986607 0.68 NAMPT (0.41) BLMKDRGRM4NAMPTUSP2
SCHEMBL19986668 0.68 KCNJ6 (0.39) BLMKDRGRM4LCKCSF1R

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