SCHEMBL30631663

SCHEMBL30631663

Cc1cc(-n2nc3ccc(Sc4ccc(O)cc4)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
LMNA P02545 1/20 0.36
MAPK14 Q16539 1/20 0.35
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
NR1H2 P55055 1/20 0.33
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPN P05981 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL22164135 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL22184105 0.96 NPC1 (0.45) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL30631661 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL18951649 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL22164133 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL30631662 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL30631657 0.92 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL9300410 0.92 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL22549154 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL22184106 0.91 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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-113272263-B Glass sheet with coating film and composition for forming the same 日本板硝子株式会社 2023-11-28 CN disclosed