SCHEMBL440440

SCHEMBL440440

CCc1cccc2c(N)c(Cl)cnc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.47
NR4A2 P43354 2/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CHRNE Q04844 1/20 0.35
ACHE P22303 2/20 0.35
TLR8 Q9NR97 1/20 0.35
ELANE P08246 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL437613 0.81 GABRA1 (0.41) HAVCR2RAB9AKMT2ANPC1CHRNE
SCHEMBL441707 0.79 HAVCR2 (0.63) HAVCR2NR4A2ACHEGABRG2GABRB3
SCHEMBL442075 0.78 HAVCR2 (0.46) HAVCR2NR4A2RAB9AKMT2ANPC1
SCHEMBL442207 0.77 HAVCR2 (0.65) HAVCR2RAB9AKMT2ANPC1GABRG2
SCHEMBL437767 0.75 HAVCR2 (0.46) HAVCR2NR4A2KMT2AACHEMEN1
SCHEMBL441422 0.75 HAVCR2 (0.46) HAVCR2NR4A2ACHEPARP1
SCHEMBL437574 0.74 PARP1 (0.45) HAVCR2NR4A2PARP1
SCHEMBL436008 0.74 HTR1A (0.44) HAVCR2
SCHEMBL8488405 0.73 MEN1 (0.63) HAVCR2KMT2AMEN1GAA
SCHEMBL440812 0.73 KMT2A (0.70) HAVCR2RAB9AKMT2ANPC1MEN1

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed