SCHEMBL30918752

SCHEMBL30918752

Nc1ccc(Nc2ccccc2)cc1.[O]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.95
MAPT P10636 8/20 0.95
L3MBTL1 Q9Y468 4/20 0.95
CYP3A4 P08684 4/20 0.95
ALOX12 P18054 3/20 0.95
HTT P42858 3/20 0.95
CYP1A2 P05177 2/20 0.95
CYP2C9 P11712 2/20 0.95
CYP2C19 P33261 2/20 0.95
HSD17B10 Q99714 6/20 0.68
TDP1 Q9NUW8 5/20 0.68
ALOX15 P16050 4/20 0.68
TSHR P16473 4/20 0.68
MAPK1 P28482 2/20 0.68
PTGS1 P23219 1/20 0.68
SLC6A2 P23975 1/20 0.68
PTGS2 P35354 1/20 0.68
HTR2B P41595 1/20 0.68
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60

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
SCHEMBL13644737 0.97 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL28848194 0.97 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL22282997 0.97 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL15371 0.97 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL6405773 0.97 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Water SCHEMBL29196546 0.95 MAPT (0.95) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Ammonia Solution, Strong SCHEMBL10666867 0.95 ALDH1A1 (0.95) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Hydrochloric Acid SCHEMBL479764 0.95 ALDH1A1 (0.95) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Hydrochloric Acid SCHEMBL9152852 0.95 ALDH1A1 (0.95) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Methane SCHEMBL28022785 0.95 ALDH1A1 (0.95) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12

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-117903087-A N-phenyl-p-phenylenediamine epoxy resin and preparation method and application thereof 南京林业大学 2024-04-19 CN disclosed