SCHEMBL31192002

SCHEMBL31192002

CCc1cc(CC)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.45
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 1/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSPA5 P11021 1/20 0.34

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
SCHEMBL11315775 1.00 NPC1 (0.49) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL9408839 0.87 NPC1 (0.41) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL9437908 0.86 GAA (0.40) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL26658017 0.85 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL26658012 0.85 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL26658021 0.85 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL26658053 0.85 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL17238263 0.85 NPC1 (0.42) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL10061927 0.85 NPC1 (0.64) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL29492042 0.85 NPC1 (0.41) NPC1RAB9APOLBLMNAKDM4E

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-118931147-A Polycarbonate resin composition 三菱工程塑料株式会社 2024-11-12 CN disclosed