SCHEMBL20283447

SCHEMBL20283447

C=NNc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KCNH2 Q12809 1/20 0.36
CXCR2 P25025 1/20 0.36
EGFR P00533 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
CASP3 P42574 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
SCHEMBL27325123 0.76 KMT2A (0.42) L3MBTL1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL3755930 0.72
SCHEMBL23848857 0.71 POLB (0.43) L3MBTL1KMT2AMEN1RAB9AALDH1A1
SCHEMBL18137930 0.71 MAPT (0.48) HTTKMT2AMEN1NPC1LMNA
SCHEMBL14304537 0.71 GAA (0.46) L3MBTL1HTTKMT2AMEN1NPC1
SCHEMBL25078194 0.71 RAB9A (0.45) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL1096366 0.71 MAPT (0.48) HTTKMT2AMEN1NPC1LMNA
SCHEMBL1335946 0.71 ALDH1A1 (0.54) L3MBTL1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL20605197 0.71 L3MBTL1 (0.50) L3MBTL1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL28538505 0.69

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-2018111904-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2018-06-21 WO disclosed