SCHEMBL437767

SCHEMBL437767

Nc1c(Cl)cnc2c(Br)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.46
NR4A2 P43354 3/20 0.40
BACE1 P56817 2/20 0.38
ACHE P22303 2/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLAU P00749 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
SCHEMBL442133 0.83 BACE1 (0.41) HAVCR2NR4A2BACE1ENPP3ENPP1
SCHEMBL441707 0.83 HAVCR2 (0.63) HAVCR2NR4A2ACHEALDH1A1CHEK1
SCHEMBL441422 0.79 HAVCR2 (0.46) HAVCR2NR4A2ACHE
SCHEMBL442075 0.79 HAVCR2 (0.46) HAVCR2NR4A2ACHEALDH1A1MEN1
SCHEMBL441951 0.79 HAVCR2 (0.58) HAVCR2NR4A2ACHEALDH1A1MEN1
SCHEMBL441974 0.76 HAVCR2 (0.38) HAVCR2ALDH1A1MEN1APAF1TDP2
SCHEMBL437574 0.75 PARP1 (0.45) HAVCR2NR4A2
SCHEMBL440440 0.75 HAVCR2 (0.47) HAVCR2NR4A2ACHEMEN1KMT2A
SCHEMBL436008 0.75 HTR1A (0.44) HAVCR2ALDH1A1KDM4E
SCHEMBL8488405 0.73 MEN1 (0.63) HAVCR2ALDH1A1MEN1MAPTKMT2A

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