SCHEMBL28378404

SCHEMBL28378404

Nc1ccc2c(c1)Cc1ccccc1-2.[Ar]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.96
LMNA P02545 4/20 0.96
MAPT P10636 4/20 0.96
ALDH1A1 P00352 4/20 0.96
NPC1 O15118 3/20 0.96
SMN1; SMN2 Q16637 3/20 0.96
HPGD P15428 2/20 0.96
KDM4E B2RXH2 2/20 0.96
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TLR9 Q9NR96 1/20 0.51
SRD5A2 P31213 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 2/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL225901 0.98 RAB9A (1.00) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL29556700 0.98 RAB9A (1.00) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL23989284 0.98 RAB9A (1.00) RAB9ALMNAMAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL2867998 0.96 RAB9A (0.96) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL2362632 0.89 RAB9A (0.84) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL30497775 0.89 RAB9A (0.84) RAB9ALMNAMAPTALDH1A1NPC1
SCHEMBL14174171 0.88 RAB9A (0.81) RAB9ALMNAMAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL2861091 0.88 RAB9A (0.81) RAB9ALMNAMAPTALDH1A1NPC1
Toluene SCHEMBL28332062 0.87 MAPT (0.79) RAB9ALMNAMAPTALDH1A1NPC1
Alcohol SCHEMBL28342671 0.87 RAB9A (0.79) RAB9ALMNAMAPTALDH1A1NPC1

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
CN-110964006-A Organic electroluminescent device and amine compound for organic electroluminescent device 三星显示有限公司 2020-04-07 CN disclosed