SCHEMBL28857455

SCHEMBL28857455

CCCOc1ccc(-c2nc(-c3ccc(OCCC)cc3O)nc(-c3ccc(CN)cc3CN)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CSNK2A1 P68400 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SLC5A1 P13866 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DHFR P00374 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL28085789 0.94 SLC5A1 (0.40) LMNAHTTALDH1A1MAPTATM
SCHEMBL8018392 0.85 SLC5A1 (0.43) LMNAHTTALDH1A1MAPTATM
SCHEMBL29502776 0.84 LTA4H (0.51) LMNAHTTALDH1A1MAPTATM
SCHEMBL14814841 0.84 LTA4H (0.51) LMNAHTTALDH1A1MAPTATM
SCHEMBL27537490 0.79 PTPN11 (0.47) ALDH1A1MAPTNPC1LTA4HMEN1
SCHEMBL13021253 0.78 NPC1 (0.56) LMNAHTTALDH1A1MAPTATM
SCHEMBL21925061 0.77 NR5A1 (0.47) LMNAALDH1A1MAPTNPC1MEN1
SCHEMBL14813417 0.76 MAPT (0.44) LMNAHTTALDH1A1MAPTATM
SCHEMBL29502785 0.76 MAPT (0.44) LMNAHTTALDH1A1MAPTATM
SCHEMBL29377899 0.76 MAPT (0.50) LMNAHTTALDH1A1MAPTATM

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-107709471-A Naphthalocyanine Derivatives 巴斯夫欧洲公司 2018-02-16 — — CN disclosed
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