SCHEMBL19986692

SCHEMBL19986692

Cc1cc(F)cc(NC(=O)NCC(C)CNc2c(C)cncc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CCR3 P51677 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL19986715 0.93 KMT2A (0.41) NAMPTKMT2APOLBMAPTKDM4E
SCHEMBL19986708 0.83 KDM4E (0.39) NAMPTSCN10AKMT2AHDAC3HDAC1
SCHEMBL19986612 0.81 RAB9A (0.45) NAMPTLMNAKMT2APOLBMAPT
SCHEMBL19986619 0.81 NAMPT (0.37) NAMPTSCN10ALMNAKMT2AHDAC3
SCHEMBL19986691 0.80 LMNA (0.45) LMNAKMT2AMAPTCCR3RAB9A
SCHEMBL19986717 0.73 MEN1 (0.44) LMNAKMT2AMAPTCCR3RAB9A
SCHEMBL19986510 0.71 LMNA (0.65) LMNAKMT2AMAPTKDM4ENPC1
SCHEMBL19986507 0.70 KMT2A (0.38) NAMPTKMT2AMAPTKDM4EMEN1
SCHEMBL19986699 0.70 LMNA (0.53) NAMPTLMNAKMT2APOLBMAPT
SCHEMBL19986611 0.69 LMNA (0.50) LMNAKMT2APOLBMAPTNPC1

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