SCHEMBL28628643

SCHEMBL28628643

Nc1nc(N)nc(Nc2ccccc2Cc2ccccc2O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.39
JAK2 O60674 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL25518112 0.90 HSPA5 (0.44) HSPA5ALDH1A1NPSR1NPC1RAB9A
SCHEMBL3296650 0.82 BRAF (0.50) NPSR1NPC1RAB9AL3MBTL1MAPT
SCHEMBL1825352 0.76 CA2 (0.56) ALDH1A1NPSR1NPC1RAB9AL3MBTL1
SCHEMBL14869509 0.76 NPC1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL28563698 0.74 ALDH1A1 (0.44) ALDH1A1NPSR1NPC1RAB9AL3MBTL1
SCHEMBL25518114 0.72 HSPA5 (0.52) HSPA5NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL27908008 0.72 GBA1 (0.50) NPSR1NPC1RAB9AL3MBTL1MAPT
SCHEMBL22467995 0.70 ADORA1 (0.56) NPSR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL49745 0.70 HSPA5 (1.00) HSPA5ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL29357407 0.70 HSPA5 (1.00) HSPA5ALDH1A1NPC1RAB9AL3MBTL1

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-110511431-B Application of nitrogen-phosphorus efficient flame retardant containing benzoguanamine structure 武汉工程大学 2021-08-27 CN claimed
CN-110511431-B Application of nitrogen-phosphorus efficient flame retardant containing benzoguanamine structure 武汉工程大学 2021-08-27 CN disclosed