SCHEMBL6118992

SCHEMBL6118992

COc1ccc(-c2ccc3nnc(-c4ccc(OC)cc4)n3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.64
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A3 P47895 2/20 0.50
GRK5 P34947 1/20 0.47
OXTR P30559 1/20 0.47
PIM1 P11309 2/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LRRK2 Q5S007 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL6118164 0.94 SCN5A (0.58) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL6118274 0.87 SCN5A (0.54) SCN5ALMNAMAPTTSHRALDH1A3
SCHEMBL11168443 0.87 SCN5A (0.64) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL12575455 0.87 SCN5A (0.51) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL16331235 0.86 NT5E (0.57) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL6118675 0.84 SCN5A (0.54) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL6118637 0.84 SCN5A (0.54) SCN5AKMT2ALMNAMAPTTSHR
SCHEMBL6118604 0.83 KDM4E (0.54) SCN5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6118554 0.83 SCN5A (0.53) SCN5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6118923 0.83 MAPK14 (0.59) SCN5AKMT2ALMNAMAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199983-B2 3-aryl-6-aryl-[1,2,4]triazolo[4,3-α]pyridines as inhibitors of cell proliferation and the use thereof CAI SUIXIONG (CN) 2015-12-01 US disclosed
WO-2012065546-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed
WO-2012065297-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed