SCHEMBL25518112

SCHEMBL25518112

Nc1nc(N)nc(Nc2cccc(Cc3ccccc3O)c2O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.44
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
JAK2 O60674 1/20 0.39
TNF P01375 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL28628643 0.90 HSPA5 (0.48) HSPA5NPC1RAB9AL3MBTL1MAPT
SCHEMBL14869509 0.82 NPC1 (0.43) NPC1RAB9AL3MBTL1MAPTNCOA1
SCHEMBL3296650 0.78 BRAF (0.50) NPC1RAB9AL3MBTL1MAPTNCOA1
SCHEMBL25518114 0.78 HSPA5 (0.52) HSPA5NPC1RAB9ANPSR1TSHR
SCHEMBL12925543 0.74 HSD17B10 (0.45) HSPA5NPC1RAB9AL3MBTL1MAPT
SCHEMBL1825352 0.72 CA2 (0.56) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL5852506 0.71 HSPA5 (0.80) HSPA5ALDH1A1CA12CA2CA9
SCHEMBL54577 0.71 HSPA5 (0.80) HSPA5ALDH1A1CA12CA2CA9
SCHEMBL30874252 0.71 HSPA5 (0.80) HSPA5ALDH1A1CA12CA2CA9
SCHEMBL14869494 0.70 APP (0.43) L3MBTL1MAPTALDH1A1NPSR1CA12

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
US-11655401-B2 Butyl rubber reactive bonding layer for pre-paving reactive-bonding waterproofing coiled material, preparation method thereof, and pre-paving reactive-bonding waterproofing coiled material BEIJING ORIENTAL YUHONG WATERPROOF TECHNOLOGY CO., LTD. (CN) 2023-05-23 US disclosed
US-11655401-B2 Butyl rubber reactive bonding layer for pre-paving reactive-bonding waterproofing coiled material, preparation method thereof, and pre-paving reactive-bonding waterproofing coiled material BEIJING ORIENTAL YUHONG WATERPROOF TECHNOLOGY CO., LTD. (CN) 2023-05-23 US disclosed