SCHEMBL28358945

SCHEMBL28358945

O=c1cc(-c2ccccn2)[nH]n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.58
NOX4 Q9NPH5 1/20 0.56
NOX1 Q9Y5S8 1/20 0.56
LMNA P02545 7/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MITF O75030 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
SCHEMBL11655414 0.81 LDHA (0.50) LDHANOX4NOX1LMNAMAPT
SCHEMBL11655418 0.80 LDHA (0.47) LDHANOX4NOX1LMNAMAPT
SCHEMBL23402302 0.78 LDHA (0.48) LDHANOX4NOX1LMNAMAPT
SCHEMBL2085581 0.76 MAPT (0.69) LDHANOX4NOX1LMNAMAPT
SCHEMBL4746103 0.72 NOX4 (1.00) LDHANOX4NOX1LMNAMAPT
SCHEMBL11711301 0.72 KDM4E (0.50) NOX4NOX1LMNAMAPTPOLB
SCHEMBL23400761 0.70 MAPT (0.57) LDHANOX4NOX1LMNAMAPT
SCHEMBL23399638 0.70 MAPT (0.51) LMNAMAPTPOLBALDH1A1BLM
Methyl Alcohol SCHEMBL1028813 0.68 MAPT (0.69) LMNAMAPTPOLBALDH1A1BLM
SCHEMBL11756851 0.68 KMT2A (0.55) LDHANOX4NOX1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110752303-A Composite material, preparation method thereof and quantum dot light-emitting diode TCL集团股份有限公司 2020-02-04 CN claimed
CN-110752303-B Composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2021-11-23 CN disclosed