SCHEMBL439423

SCHEMBL439423

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.36
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL438820 0.83 HAVCR2 (0.39) HAVCR2LMNAPOLBMAPTMEN1
SCHEMBL440009 0.83 HAVCR2 (0.38) HAVCR2MAPTMEN1GAAKMT2A
SCHEMBL441951 0.79 HAVCR2 (0.58) HAVCR2LMNAMAPTMEN1KMT2A
SCHEMBL439672 0.74 DYRK1A (0.35) HAVCR2SMN1; SMN2
SCHEMBL439785 0.73 HAVCR2 (0.68) HAVCR2LMNAPOLBMAPTMEN1
SCHEMBL439739 0.73 CCR1 (0.39) HAVCR2MAPTMEN1NPC1RAB9A
SCHEMBL442133 0.72 BACE1 (0.41) HAVCR2MAPTMEN1KMT2AALDH1A1
SCHEMBL437507 0.71 MAP4K4 (0.35)
SCHEMBL437599 0.71 CCR1 (0.42) HAVCR2LMNAPOLBMAPTMEN1
SCHEMBL438876 0.71 BCHE (0.43) HAVCR2MAPTKMT2AALDH1A1HTT

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