SCHEMBL19072000

SCHEMBL19072000

C1=CC(c2ccnc(-c3ccccc3)c2)=CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.45
PIM1 P11309 1/20 0.40
TGFBR1 P36897 1/20 0.40
CDK1 P06493 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
USP30 Q70CQ3 1/20 0.39
COMT P21964 1/20 0.35
SMO Q99835 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
MIF P14174 1/20 0.34
AURKA O14965 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PRKACA P17612 1/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21003783 0.93 ASIC3 (0.41) ASIC3PIM1TGFBR1CDK1MAPKAPK2
SCHEMBL12087411 0.92 ASIC3 (0.37) ASIC3PIM1TGFBR1CDK1MAPKAPK2
SCHEMBL22068582 0.92 ASIC3 (0.44) ASIC3PIM1TGFBR1CDK1MAPKAPK2
SCHEMBL10016746 0.82 PRKDC (0.39) ASIC3PIM1TGFBR1CDK1MAPKAPK2
SCHEMBL27060384 0.80 ASIC3 (0.44) ASIC3SMOMIFALDH1A1NPC1
SCHEMBL21975337 0.79 ASIC3 (0.46) ASIC3SMOHTR1AHTR7MIF
SCHEMBL26499133 0.79 HTR1A (0.42) COMTHTR1AHTR7HSP90AA1KDM4E
SCHEMBL26498718 0.79 HTR1A (0.39) COMTHTR1AHTR7HSP90AA1KDM4E
SCHEMBL25776206 0.78 CYP19A1 (0.41) MKNK1KDM4EALDH1A1NPC1GABRA1
SCHEMBL3807753 0.77 ALDH1A1 (0.36) ALDH1A1NPC1

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
EP-3188277-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-07-05 EP disclosed