SCHEMBL19986466

SCHEMBL19986466

Cc1cc(NC(=O)NCC(C)(C)CNc2c(C)cncc2C)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 8/20 0.34
CNR1 P21554 7/20 0.34
NAMPT P43490 5/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PRMT3 O60678 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19986721 0.89 RAB9A (0.45) NAMPTKDM4ERAB9A
SCHEMBL19986619 0.86 NAMPT (0.37) L3MBTL1NAMPTFGFR3KDRKDM4E
SCHEMBL19986718 0.79 ALDH1A1 (0.42) KDM4ERAB9A
SCHEMBL19986531 0.78 MEN1 (0.44) PRMT3RAB9A
SCHEMBL19986465 0.78 PRMT3 (0.38) L3MBTL1FGFR3KDRPRMT3RAB9A
SCHEMBL19986720 0.73 RAB9A (0.49) KDRRAB9A
SCHEMBL19986618 0.73 MEN1 (0.38) CNR1FGFR3KDRRAB9A
SCHEMBL19986533 0.72 NUDT1 (0.33)
SCHEMBL28574430 0.71 NAMPT (0.47) NAMPTRAB9A
SCHEMBL19986512 0.71 MEN1 (0.54) L3MBTL1KDM4ERAB9A

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