SCHEMBL29217792

SCHEMBL29217792

COc1cc(N)c(N)c(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 4/20 0.43
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
EP300 Q09472 1/20 0.41
S100B P04271 1/20 0.41

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
SCHEMBL28211075 0.80 ALDH1A1 (0.45) NPC1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL30665721 0.80 NPC1 (0.45) NPC1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL11445881 0.78 NPC1 (0.43) NPC1MAPTALDH1A1CYP3A4TDP1
SCHEMBL3292290 0.78 AKR1B1 (0.34) NPC1
SCHEMBL209984 0.77 NPC1 (0.56) NPC1MAPTALDH1A1CYP3A4TDP1
SCHEMBL926329 0.77 L3MBTL1 (0.67) NPC1MAPTALDH1A1CYP3A4TDP1
SCHEMBL29532421 0.77 NPC1 (0.56) NPC1MAPTALDH1A1CYP3A4TDP1
SCHEMBL5112479 0.77 NPC1 (0.46) NPC1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL2841590 0.75 ALDH1A1 (0.54) NPC1MAPTNPSR1ALDH1A1CYP3A4
SCHEMBL4730926 0.75 ALDH1A1 (0.56) NPC1MAPTNPSR1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116716018-B Polybenzimidazole-organosilicon high-temperature-resistant coating and preparation method thereof 广州市瑞富涂料有限公司 2024-02-23 CN claimed
CN-116716018-A Polybenzimidazole-organosilicon high-temperature-resistant coating and preparation method thereof 广州市瑞富涂料有限公司 2023-09-08 CN claimed
CN-116716018-B Polybenzimidazole-organosilicon high-temperature-resistant coating and preparation method thereof 广州市瑞富涂料有限公司 2024-02-23 CN disclosed
CN-116716018-A Polybenzimidazole-organosilicon high-temperature-resistant coating and preparation method thereof 广州市瑞富涂料有限公司 2023-09-08 CN disclosed