SCHEMBL438820

SCHEMBL438820

Nc1c(Cl)cnc2c(Cl)c(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.39
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK1A Q13627 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NR4A2 P43354 1/20 0.32
MAP4K1 Q92918 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL439423 0.83 HAVCR2 (0.36) HAVCR2LMNAPOLBMAPTMEN1
SCHEMBL436942 0.81 HAVCR2 (0.41) HAVCR2MAPTMEN1NPC1GAA
SCHEMBL439785 0.78 HAVCR2 (0.68) HAVCR2LMNAPOLBMAPTMEN1
SCHEMBL441707 0.76 HAVCR2 (0.63) HAVCR2LMNASMN1; SMN2DYRK1AALDH1A1
SCHEMBL442157 0.76 HAVCR2 (0.36) HAVCR2DYRK1A
SCHEMBL437847 0.76 CCR1 (0.42) HAVCR2LMNAPOLBMAPTNPC1
SCHEMBL441974 0.73 HAVCR2 (0.38) HAVCR2MAPTMEN1KMT2ADYRK1A
SCHEMBL437767 0.72 HAVCR2 (0.46) HAVCR2POLBMAPTMEN1KMT2A
SCHEMBL441422 0.72 HAVCR2 (0.46) HAVCR2SMN1; SMN2NR4A2ACHE
SCHEMBL442075 0.72 HAVCR2 (0.46) HAVCR2LMNAPOLBMAPTMEN1

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